WorldWideScience

Sample records for spacecraft rendevous docking

  1. Spacecraft rendezvous and docking

    DEFF Research Database (Denmark)

    Jørgensen, John Leif

    1999-01-01

    The phenomenons and problems encountered when a rendezvous manoeuvre, and possible docking, of two spacecrafts has to be performed, have been the topic for numerous studies, and, details of a variety of scenarios has been analysed. So far, all solutions that has been brought into realization has...... been based entirely on direct human supervision and control. This paper describes a vision-based system and methodology, that autonomously generates accurate guidance information that may assist a human operator in performing the tasks associated with both the rendezvous and docking navigation...

  2. Autonomous spacecraft rendezvous and docking

    Science.gov (United States)

    Tietz, J. C.; Almand, B. J.

    A storyboard display is presented which summarizes work done recently in design and simulation of autonomous video rendezvous and docking systems for spacecraft. This display includes: photographs of the simulation hardware, plots of chase vehicle trajectories from simulations, pictures of the docking aid including image processing interpretations, and drawings of the control system strategy. Viewgraph-style sheets on the display bulletin board summarize the simulation objectives, benefits, special considerations, approach, and results.

  3. Methodology for Developing a Probabilistic Risk Assessment Model of Spacecraft Rendezvous and Dockings

    Science.gov (United States)

    Farnham, Steven J., II; Garza, Joel, Jr.; Castillo, Theresa M.; Lutomski, Michael

    2011-01-01

    In 2007 NASA was preparing to send two new visiting vehicles carrying logistics and propellant to the International Space Station (ISS). These new vehicles were the European Space Agency s (ESA) Automated Transfer Vehicle (ATV), the Jules Verne, and the Japanese Aerospace and Explorations Agency s (JAXA) H-II Transfer Vehicle (HTV). The ISS Program wanted to quantify the increased risk to the ISS from these visiting vehicles. At the time, only the Shuttle, the Soyuz, and the Progress vehicles rendezvoused and docked to the ISS. The increased risk to the ISS was from an increase in vehicle traffic, thereby, increasing the potential catastrophic collision during the rendezvous and the docking or berthing of the spacecraft to the ISS. A universal method of evaluating the risk of rendezvous and docking or berthing was created by the ISS s Risk Team to accommodate the increasing number of rendezvous and docking or berthing operations due to the increasing number of different spacecraft, as well as the future arrival of commercial spacecraft. Before the first docking attempt of ESA's ATV and JAXA's HTV to the ISS, a probabilistic risk model was developed to quantitatively calculate the risk of collision of each spacecraft with the ISS. The 5 rendezvous and docking risk models (Soyuz, Progress, Shuttle, ATV, and HTV) have been used to build and refine the modeling methodology for rendezvous and docking of spacecrafts. This risk modeling methodology will be NASA s basis for evaluating the addition of future ISS visiting spacecrafts hazards, including SpaceX s Dragon, Orbital Science s Cygnus, and NASA s own Orion spacecraft. This paper will describe the methodology used for developing a visiting vehicle risk model.

  4. Optimization of Spacecraft Rendezvous and Docking using Interval Analysis

    NARCIS (Netherlands)

    Van Kampen, E.; Chu, Q.P.; Mulder, J.A.

    2010-01-01

    This paper applies interval optimization to the fixed-time multiple impulse rendezvous and docking problem. Current methods for solving this type of optimization problem include for example genetic algorithms and gradient based optimization. Unlike these methods, interval methods can guarantee that

  5. Logistics and operations implications of manual control of spacecraft docking maneuvers

    Science.gov (United States)

    Brody, Adam R.; Ellis, Stephen R.

    1991-01-01

    The implications of logistics and operations on the manual control of spacecraft docking are discussed. The results of simulation studies to investigate fuel and time cost tradeoffs are reviewed and discussed. Comparisons of acceleration control and pulse control are presented to evaluate the effects of astronauts being instructed to use pulse mode for fuel conservation. The applications of the findings to moon and Mars missions are addressed.

  6. Imaging Flash Lidar for Safe Landing on Solar System Bodies and Spacecraft Rendezvous and Docking

    Science.gov (United States)

    Amzajerdian, Farzin; Roback, Vincent E.; Bulyshev, Alexander E.; Brewster, Paul F.; Carrion, William A; Pierrottet, Diego F.; Hines, Glenn D.; Petway, Larry B.; Barnes, Bruce W.; Noe, Anna M.

    2015-01-01

    NASA has been pursuing flash lidar technology for autonomous, safe landing on solar system bodies and for automated rendezvous and docking. During the final stages of the landing from about 1 kilometer to 500 meters above the ground, the flash lidar can generate 3-Dimensional images of the terrain to identify hazardous features such as craters, rocks, and steep slopes. The onboard flight computer can then use the 3-D map of terrain to guide the vehicle to a safe location. As an automated rendezvous and docking sensor, the flash lidar can provide relative range, velocity, and bearing from an approaching spacecraft to another spacecraft or a space station. NASA Langley Research Center has developed and demonstrated a flash lidar sensor system capable of generating 16,000 pixels range images with 7 centimeters precision, at 20 Hertz frame rate, from a maximum slant range of 1800 m from the target area. This paper describes the lidar instrument and presents the results of recent flight tests onboard a rocket-propelled free-flyer vehicle (Morpheus) built by NASA Johnson Space Center. The flights were conducted at a simulated lunar terrain site, consisting of realistic hazard features and designated landing areas, built at NASA Kennedy Space Center specifically for this demonstration test. This paper also provides an overview of the plan for continued advancement of the flash lidar technology aimed at enhancing its performance to meet both landing and automated rendezvous and docking applications.

  7. Multibody dynamical modeling for spacecraft docking process with spring-damper buffering device: A new validation approach

    Science.gov (United States)

    Daneshjou, Kamran; Alibakhshi, Reza

    2018-01-01

    In the current manuscript, the process of spacecraft docking, as one of the main risky operations in an on-orbit servicing mission, is modeled based on unconstrained multibody dynamics. The spring-damper buffering device is utilized here in the docking probe-cone system for micro-satellites. Owing to the impact occurs inevitably during docking process and the motion characteristics of multibody systems are remarkably affected by this phenomenon, a continuous contact force model needs to be considered. Spring-damper buffering device, keeping the spacecraft stable in an orbit when impact occurs, connects a base (cylinder) inserted in the chaser satellite and the end of docking probe. Furthermore, by considering a revolute joint equipped with torsional shock absorber, between base and chaser satellite, the docking probe can experience both translational and rotational motions simultaneously. Although spacecraft docking process accompanied by the buffering mechanisms may be modeled by constrained multibody dynamics, this paper deals with a simple and efficient formulation to eliminate the surplus generalized coordinates and solve the impact docking problem based on unconstrained Lagrangian mechanics. By an example problem, first, model verification is accomplished by comparing the computed results with those recently reported in the literature. Second, according to a new alternative validation approach, which is based on constrained multibody problem, the accuracy of presented model can be also evaluated. This proposed verification approach can be applied to indirectly solve the constrained multibody problems by minimum required effort. The time history of impact force, the influence of system flexibility and physical interaction between shock absorber and penetration depth caused by impact are the issues followed in this paper. Third, the MATLAB/SIMULINK multibody dynamic analysis software will be applied to build impact docking model to validate computed results and

  8. Robust adaptive backstepping neural networks control for spacecraft rendezvous and docking with input saturation.

    Science.gov (United States)

    Xia, Kewei; Huo, Wei

    2016-05-01

    This paper presents a robust adaptive neural networks control strategy for spacecraft rendezvous and docking with the coupled position and attitude dynamics under input saturation. Backstepping technique is applied to design a relative attitude controller and a relative position controller, respectively. The dynamics uncertainties are approximated by radial basis function neural networks (RBFNNs). A novel switching controller consists of an adaptive neural networks controller dominating in its active region combined with an extra robust controller to avoid invalidation of the RBFNNs destroying stability of the system outside the neural active region. An auxiliary signal is introduced to compensate the input saturation with anti-windup technique, and a command filter is employed to approximate derivative of the virtual control in the backstepping procedure. Globally uniformly ultimately bounded of the relative states is proved via Lyapunov theory. Simulation example demonstrates effectiveness of the proposed control scheme. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

  9. Pre-Proposal Assessment of Reliability for Spacecraft Docking with Limited Information

    Science.gov (United States)

    Brall, Aron

    2013-01-01

    This paper addresses the problem of estimating the reliability of a critical system function as well as its impact on the system reliability when limited information is available. The approach addresses the basic function reliability, and then the impact of multiple attempts to accomplish the function. The dependence of subsequent attempts on prior failure to accomplish the function is also addressed. The autonomous docking of two spacecraft was the specific example that generated the inquiry, and the resultant impact on total reliability generated substantial interest in presenting the results due to the relative insensitivity of overall performance to basic function reliability and moderate degradation given sufficient attempts to try and accomplish the required goal. The application of the methodology allows proper emphasis on the characteristics that can be estimated with some knowledge, and to insulate the integrity of the design from those characteristics that can't be properly estimated with any rational value of uncertainty. The nature of NASA's missions contains a great deal of uncertainty due to the pursuit of new science or operations. This approach can be applied to any function where multiple attempts at success, with or without degradation, are allowed.

  10. Relationship between automation trust and operator performance for the novice and expert in spacecraft rendezvous and docking (RVD).

    Science.gov (United States)

    Niu, Jianwei; Geng, He; Zhang, Yijing; Du, Xiaoping

    2018-09-01

    Operator trust in automation is a crucial factor influencing its use and operational performance. However, the relationship between automation trust and performance remains poorly understood and requires further investigation. The objective of this paper is to explore the difference in trust and performance on automation-aided spacecraft rendezvous and docking (RVD) between the novice and the expert and to investigate the relationship between automation trust and performance as well. We employed a two-factor mixed design, with training skill (novice and expert) and automation mode (manual RVD and automation aided RVD) serving as the two factors. Twenty participants, 10 novices and 10 experts, were recruited to conduct six RVD tasks for two automation levels. After the tasks, operator performance was recorded by the desktop hand-held docking training equipment. Operator trust was also measured by a 12-items questionnaire at the beginning and end of each trial. As a result, automation narrowed the performance gap significantly between the novice and the expert, and the automation trust showed a marginally significant difference between the novice and the expert. Furthermore, the result demonstrated that the attitude angle control error of the expert was related to the total trust score, whereas other automation performance indicators were not related to the total score of trust. However, automation performance was related to the dimensions of trust, such as entrust, harmful, and dependable. Copyright © 2018 Elsevier Ltd. All rights reserved.

  11. The Influence of Spatial Ability and Experience on Spacecraft Rendezvous and Docking Operation Performance

    Directory of Open Access Journals (Sweden)

    Xiaoping eDu

    2015-07-01

    Full Text Available Manual rendezvous and docking (manual RVD is a challenging space task for astronauts. Previous research showed a correlation between spatial ability and manual RVD skills among participants at early stages of training, but paid less attention to experts. Therefore, this study tried to explore the role of spatial ability in manual RVD skills in two groups of trainees, one relatively inexperienced and the other experienced operators. Additionally, mental rotation has been proven essential in RVD and was tested in this study among 27 male participants, 15 novices and 12 experts. The participants performed manual RVD tasks in a high fidelity simulator. Results showed that experience moderated the relation between mental rotation ability and manual RVD performance. On one hand, novices with high mental rotation ability tended to perform that RVD task more successfully; on the other hand, experts with high mental rotation ability showed not only no performance advantage in the final stage of the RVD task, but had certain disadvantages in their earlier processes. Both theoretical and practical implications were discussed.

  12. Guidance and Control of Position and Attitude for Rendezvous and Dock/Berthing with a Noncooperative/Target Spacecraft

    Directory of Open Access Journals (Sweden)

    Gilberto Arantes

    2014-01-01

    Full Text Available Noncooperative target spacecrafts are those assets in orbit that cannot convey any information about their states (position, attitude, and velocities or facilitate rendezvous and docking/berthing (RVD/B process. Designing a guidance, navigation, and control (GNC module for the chaser in a RVD/B mission with noncooperative target should be inevitably solved for on-orbit servicing technologies. The proximity operations and the guidance for achieving rendezvous problems are addressed in this paper. The out-of-plane maneuvers of proximity operations are explored with distinct subphases, including a chaser far approach in the target’s orbit to the first hold point and a closer approach to the final berthing location. Accordingly, guidance solutions are chosen for each subphase from the standard Hill based Closhessy-Willtshire (CW solution, elliptical fly-around, and Glideslope algorithms. The control is based on a linear quadratic regulator approach (LQR. At the final berthing location, attitude tracker based on a proportional derivative (PD form is tested to synchronize the chaser and target attitudes. The paper analyzes the performance of both controllers in terms of the tracking ability and the robustness. Finally, it prescribes any restrictions that may be imposed on the guidance during any subphase which can help to improve the controllers tracking ability.

  13. Omnidirectional angle constraint based dynamic six-degree-of-freedom measurement for spacecraft rendezvous and docking simulation

    Science.gov (United States)

    Shi, Shendong; Yang, Linghui; Lin, Jiarui; Ren, Yongjie; Guo, Siyang; Zhu, Jigui

    2018-04-01

    In this paper we present a novel omnidirectional angle constraint based method for dynamic 6-DOF (six-degree-of-freedom) measurement. A photoelectric scanning measurement network is employed whose photoelectric receivers are fixed on the measured target. They are in a loop distribution and receive signals from rotating transmitters. Each receiver indicates an angle constraint direction. Therefore, omnidirectional angle constraints can be constructed in each rotation cycle. By solving the constrained optimization problem, 6-DOF information can be obtained, which is independent of traditional rigid coordinate system transformation. For the dynamic error caused by the measurement principle, we present an interpolation method for error reduction. Accuracy testing is performed in an 8  ×  8 m measurement area with four transmitters. The experimental results show that the dynamic orientation RMSEs (root-mean-square errors) are reduced from 0.077° to 0.044°, 0.040° to 0.030° and 0.032° to 0.015° in the X, Y, and Z axes, respectively. The dynamic position RMSE is reduced from 0.65 mm to 0.24 mm. This method is applied during the final approach phase in the rendezvous and docking simulation. Experiments under different conditions are performed in a 40  ×  30 m area, and the method is verified to be effective.

  14. Molecular docking.

    Science.gov (United States)

    Morris, Garrett M; Lim-Wilby, Marguerita

    2008-01-01

    Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. Successful docking methods search high-dimensional spaces effectively and use a scoring function that correctly ranks candidate dockings. Docking can be used to perform virtual screening on large libraries of compounds, rank the results, and propose structural hypotheses of how the ligands inhibit the target, which is invaluable in lead optimization. The setting up of the input structures for the docking is just as important as the docking itself, and analyzing the results of stochastic search methods can sometimes be unclear. This chapter discusses the background and theory of molecular docking software, and covers the usage of some of the most-cited docking software.

  15. 首次交会对接任务发射场加注安全保障改进%Improvement of safety assurance conditions during spacecraft propellant injection procedure for China's first rendezvous and docking mission

    Institute of Scientific and Technical Information of China (English)

    罗克; 冯雷

    2011-01-01

    载人航天器加注是航天器研制过程中安全风险最高、危险作业工序最多的环节,必须采取严密的安全防护措施,确保万无一失.通过实践探索积累经验,全面周密的设计论证,对原有加注硬件条件进行改造,工作流程进行优化,从而大幅提高本质安全度,并在首次交会对接任务中加以应用和验证,取得了良好的效果,圆满完成了“天宫一号”、“神舟八号”发射任务的加注工作.%The propellant injection for spacecraft at the launch site is the most dangerous procedure in the whole R&D process, which involves many dangerous operations. Strict protective measures must be taken to avoid any mistakes. Based on the experience of previous practices, and by adequate design and discussion aimed at improving the current hardware conditions, the operation procedures for propellant injection of spacecrafts are optimized with a great enhancement of the intrinsic safety. These approaches have been applied in China's first rendezvous and docking mission, which brings about successful accomplishment of the propellant injection of the Tiangong-Ⅰ and Shenzhou-Ⅷ spacecraft.

  16. Design and Preliminary Testing of the International Docking Adapter's Peripheral Docking Target

    Science.gov (United States)

    Foster, Christopher W.; Blaschak, Johnathan; Eldridge, Erin A.; Brazzel, Jack P.; Spehar, Peter T.

    2015-01-01

    The International Docking Adapter's Peripheral Docking Target (PDT) was designed to allow a docking spacecraft to judge its alignment relative to the docking system. The PDT was designed to be compatible with relative sensors using visible cameras, thermal imagers, or Light Detection and Ranging (LIDAR) technologies. The conceptual design team tested prototype designs and materials to determine the contrast requirements for the features. This paper will discuss the design of the PDT, the methodology and results of the tests, and the conclusions pertaining to PDT design that were drawn from testing.

  17. Passive, Failure-Tolerant Docking and Undocking with Articulated Magnets

    Data.gov (United States)

    National Aeronautics and Space Administration — Current spacecraft docking relies on active movement (e.g. thrusters) to close the gap between participants, and to separate them when undocking. I intend to develop...

  18. Optimal Rendezvous and Docking Simulator for Elliptical Orbits, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — It is proposed to develop and implement a simulation of spacecraft rendezvous and docking guidance, navigation, and control in elliptical orbit. The foundation of...

  19. Companies hone in on radar-docking technology

    Science.gov (United States)

    Howell, Elizabeth

    2009-11-01

    As NASA prepares to retire the Space Shuttle next year, two private space firms have tested docking technology that could be used on the next generation of US spacecraft. In September, Canadian firm Neptec tested a new radar system on the Space Shuttle Discovery that allows spacecraft to dock more easily. Meanwhile, Space Exploration Technologies (SpaceX) based in California has revealed that it tested out a new proximity sensor, dubbed "Dragoneye", on an earlier shuttle mission in July.

  20. Operator learning effects in teleoperated rendezvous & docking

    Science.gov (United States)

    Wilde, M.; Harder, J.; Purschke, R.

    Teleoperation of spacecraft proximity operations and docking requires delicate timing and coordination of spacecraft maneuvers. Experience has shown that human operators show large performance fluctuations in these areas, which are a major factor to be addressed in operator training. In order to allow the quantification of the impact of these human fluctuations on control system performance and the human perception of this performance, a learning curve study was conducted with teleoperated final approach and docking scenarios. Over a period of ten experiment days, three test participants were tasked with repeatedly completing a set of three training scenarios. The scenarios were designed to contain different combinations of the major elements of any final approach and docking situation, and to feature an increasing difficulty level. The individual difficulty levels for the three operators furthermore differed in the level of operator support functions available in their human-machine interfaces. Operator performance in the test scenarios were evaluated in the fields approach success and precision, docking safety, and approach efficiency by a combination of recorded maneuver data and questionnaires. The results show that operator experience and the associated learning curves increase operator performance substantially, regardless of the support system used. The paper also shows that the fluctuations in operator performance and self-perception are substantial between as well as within experiment days, and must be reckoned with in teleoperation system design and mission planning.

  1. China Accomplished Its First Space Rendezvous and Docking

    Institute of Scientific and Technical Information of China (English)

    Chen Xiaoli

    2011-01-01

    At 1:36 am on November 3,China's Shenzhou 8 unmanned spaceship and Tiangong 1 space lab spacecraft accomplished the country's first space docking procedure and coupling in space at more than 343km above Earth's surface,marking a great leap in China's space program.

  2. Spacecraft operations

    CERN Document Server

    Sellmaier, Florian; Schmidhuber, Michael

    2015-01-01

    The book describes the basic concepts of spaceflight operations, for both, human and unmanned missions. The basic subsystems of a space vehicle are explained in dedicated chapters, the relationship of spacecraft design and the very unique space environment are laid out. Flight dynamics are taught as well as ground segment requirements. Mission operations are divided into preparation including management aspects, execution and planning. Deep space missions and space robotic operations are included as special cases. The book is based on a course held at the German Space Operation Center (GSOC).

  3. Orion Handling Qualities During ISS Rendezvous and Docking

    Science.gov (United States)

    Hart, Jeremy J.; Stephens, J. P.; Spehar, P.; Bilimoria, K.; Foster, C.; Gonzalex, R.; Sullivan, K.; Jackson, B.; Brazzel, J.; Hart, J.

    2011-01-01

    The Orion spacecraft was designed to rendezvous with multiple vehicles in low earth orbit (LEO) and beyond. To perform the required rendezvous and docking task, Orion must provide enough control authority to perform coarse translational maneuvers while maintaining precision to perform the delicate docking corrections. While Orion has autonomous docking capabilities, it is expected that final approach and docking operations with the International Space Station (ISS) will initially be performed in a manual mode. A series of evaluations was conducted by NASA and Lockheed Martin at the Johnson Space Center to determine the handling qualities (HQ) of the Orion spacecraft during different docking and rendezvous conditions using the Cooper-Harper scale. This paper will address the specifics of the handling qualities methodology, vehicle configuration, scenarios flown, data collection tools, and subject ratings and comments. The initial Orion HQ assessment examined Orion docking to the ISS. This scenario demonstrates the Translational Hand Controller (THC) handling qualities of Orion. During this initial assessment, two different scenarios were evaluated. The first was a nominal docking approach to a stable ISS, with Orion initializing with relative position dispersions and a closing rate of approximately 0.1 ft/sec. The second docking scenario was identical to the first, except the attitude motion of the ISS was modeled to simulate a stress case ( 1 degree deadband per axis and 0.01 deg/sec rate deadband per axis). For both scenarios, subjects started each run on final approach at a docking port-to-port range of 20 ft. Subjects used the THC in pulse mode with cues from the docking camera image, window views, and range and range rate data displayed on the Orion display units. As in the actual design, the attitude of the Orion vehicle was held by the automated flight control system at 0.5 degree deadband per axis. Several error sources were modeled including Reaction

  4. Vision Based Navigation Sensors for Spacecraft Rendezvous and Docking

    DEFF Research Database (Denmark)

    Benn, Mathias

    provided new information and insight into gravitational related physics as diverse as dessert growth, ocean circulation, gravity anomaly mapping and precipitation and climate models. Plans and projects for future multi segment missions are plenty, with missions from all major space agencies in progress...

  5. Rendezvous and docking tracker

    Science.gov (United States)

    Ray, Art J.; Ross, Susan E.; Deming, Douglas R.

    1986-01-01

    A conceptual solid-state rendezvous and docking tracker (RDT) has been devised for generating range and attitude data for a docking vehicle relative to a target vehicle. Emphasis is placed on the approach of the Orbiter to a link with the Space Station. Three laser illuminators ring the optical axis of the lens a directed toward retroreflectors on the target vehicle. Each retroreflector is equipped with a bandpass filter for a designated illumination frequency. Data are collected sequentially over a 20 deg field of view as the range closes to 100-1000 m. A fourth ranging retroreflector 0.3 m from center is employed during close-in maneuvers. The system provides tracking data on motions with 6 deg of freedom, and furnishes 500 msec updates (to be enhanced to 100 msec) to the operator at a computer console.

  6. ASTP crewmen in Docking Module trainer during training session at JSC

    Science.gov (United States)

    1975-01-01

    An interior view of the Docking Module trainer in bldg 35 during Apollo Soyuz Test Project (ASTP) joint crew training at JSC. Astronaut Thomas P. Stafford, commander of the American ASTP prime crew, is on the right. The other crewman is Cosmonaut Aleksey A. Leonov, commander of the Soviet ASTP prime crew. The training session simulated activities on the second day in Earth orbit. The Docking Module is designed to link the Apollo and Soyuz spacecraft.

  7. Demonstration of automated proximity and docking technologies

    Science.gov (United States)

    Anderson, Robert L.; Tsugawa, Roy K.; Bryan, Thomas C.

    An autodock was demonstrated using straightforward techniques and real sensor hardware. A simulation testbed was established and validated. The sensor design was refined with improved optical performance and image processing noise mitigation techniques, and the sensor is ready for production from off-the-shelf components. The autonomous spacecraft architecture is defined. The areas of sensors, docking hardware, propulsion, and avionics are included in the design. The Guidance Navigation and Control architecture and requirements are developed. Modular structures suitable for automated control are used. The spacecraft system manager functions including configuration, resource, and redundancy management are defined. The requirements for autonomous spacecraft executive are defined. High level decisionmaking, mission planning, and mission contingency recovery are a part of this. The next step is to do flight demonstrations. After the presentation the following question was asked. How do you define validation? There are two components to validation definition: software simulation with formal and vigorous validation, and hardware and facility performance validated with respect to software already validated against analytical profile.

  8. Remote docking apparatus

    International Nuclear Information System (INIS)

    Dent, T.H.; Sumpman, W.C.; Wilhelm, J.J.

    1981-01-01

    The remote docking apparatus comprises a support plate with locking devices mounted thereon. The locking devices are capable of being inserted into tubular members for suspending the support plate therefrom. A vertical member is attached to the support plate with an attachment mechanism attached to the vertical member. A remote access manipulator is capable of being attached to the attachment mechanism so that the vertical member can position the remote access manipulator so that the remote access manipulator can be initially attached to the tubular members in a well defined manner

  9. DockingShop: A Tool for Interactive Molecular Docking

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Ting-Cheng; Max, Nelson L.; Ding, Jinhui; Bethel, E. Wes; Crivelli, Silvia N.

    2005-04-24

    Given two independently determined molecular structures, the molecular docking problem predicts the bound association, or best fit between them, while allowing for conformational changes of the individual molecules during construction of a molecular complex. Docking Shop is an integrated environment that permits interactive molecular docking by navigating a ligand or protein to an estimated binding site of a receptor with real-time graphical feedback of scoring factors as visual guides. Our program can be used to create initial configurations for a protein docking prediction process. Its output--the structure of aprotein-ligand or protein-protein complex--may serve as an input for aprotein docking algorithm, or an optimization process. This tool provides molecular graphics interfaces for structure modeling, interactive manipulation, navigation, optimization, and dynamic visualization to aid users steer the prediction process using their biological knowledge.

  10. Rendezvous and Docking Technology for Space Flight%空间交会对接技术

    Institute of Scientific and Technical Information of China (English)

    郑永煌

    2011-01-01

    空间交会对接是载人航天工程非常重要的基本技术.在介绍空间交会对接技术发展历史和中国首次交会对接取得圆满成功的基础上,阐述了空间交会对接技术的基本概念、技术难点、控制方式和交会对接过程,并着重介绍了四种交会对接机构的特点.最后介绍了中国首次交会对接任务规划、天宫一号目标飞行器和神舟八号飞船的特点以及两次空间交会对接过程.%Rendezvous and Docking is a very important basic technology of Manned Space Engineering. Firstly, rendezvous and docking technology development history is provided, and the significance of China first rendezvous and docking success is presented. Secondly, the basic conception, technology difficulty, control mode and docking process of rendezvous and docking technology are explained.Thirdly, four docking mechanism characteristics are special provided. Finally, China first rendezvous and docking mission planning,characteristic of Tiangong-1 target flight vehicle and Shenzhou-8 spacecraft and two rendezvous and docking successes are presented.

  11. Spacecraft radiator systems

    Science.gov (United States)

    Anderson, Grant A. (Inventor)

    2012-01-01

    A spacecraft radiator system designed to provide structural support to the spacecraft. Structural support is provided by the geometric "crescent" form of the panels of the spacecraft radiator. This integration of radiator and structural support provides spacecraft with a semi-monocoque design.

  12. Technology Development of Automated Rendezvous and Docking/Capture Sensors and Docking Mechanism for the Asteroid Redirect Crewed Mission

    Science.gov (United States)

    Hinkel, Heather; Strube, Matthew; Zipay, John J.; Cryan, Scott

    2016-01-01

    This paper will describe the technology development efforts NASA has underway for Automated Rendezvous and Docking/Capture (AR&D/C) sensors and a docking mechanism and the challenges involved. The paper will additionally address how these technologies will be extended to other missions requiring AR&D/C whether robotic or manned. NASA needs AR&D/C sensors for both the robotic and crewed segments of the Asteroid Redirect Mission (ARM). NASA recently conducted a commonality assessment of the concept of operations for the robotic Asteroid Redirect Vehicle (ARV) and the crewed mission segment using the Orion spacecraft. The commonality assessment also considered several future exploration and science missions requiring an AR&D/C capability. Missions considered were asteroid sample return, satellite servicing, and planetary entry, descent, and landing. This assessment determined that a common sensor suite consisting of one or more visible wavelength cameras, a three-dimensional LIDAR along with long-wavelength infrared cameras for robustness and situational awareness could be used on each mission to eliminate the cost of multiple sensor developments and qualifications. By choosing sensor parameters at build-time instead of at design-time and, without having to requalify flight hardware, a specific mission can design overlapping bearing, range, relative attitude, and position measurement availability to suit their mission requirements with minimal non-recurring engineering costs. The resulting common sensor specification provides the union of all performance requirements for each mission and represents an improvement over the current systems used for AR&D/C today. These sensor specifications are tightly coupled to the docking system capabilities and requirements for final docking conditions. The paper will describe NASA's efforts to develop a standard docking system for use across NASA human spaceflight missions to multiple destinations. It will describe the current

  13. CT-docking patient stretcher

    International Nuclear Information System (INIS)

    Mirvis, S.E.; Owens, E.; Maslyn, J.; Rizutto, M.

    1990-01-01

    This paper assesses the use of a patient stretcher that directly docks to a CT scanner for acutely injured and/or critically ill patients. The stretcher permits performance of radiography and acts as a platform for critical care monitoring and patient support devices. During a 1-year period, the prototype CT-docking stretcher was used for 35 patients sustaining acute trauma and 25 patients from critical care units. Observations were elicited from physicians, nurses and technologists concerning the advantages or disadvantages of the docking stretcher. Advantages of the CT-docking stretcher included time saved in moving patients to the CT table from the admitting/emergency ward, transfer of critically ill patients onto the stretcher in the controlled environment of the intensive care unit rather than the CT suite, increasing CT throughput by direct docking of the patient stretcher to the CT scanner rather than manual transfer of complex support and monitoring devices with the patient, decreased risk associated with physical movement of patients with potentially unstable spinal injuries or unstable physiologic status, and decrease in potential for injury to medical personnel performing patient transfer

  14. Dry dock gate stability modelling

    Science.gov (United States)

    Oktoberty; Widiyanto; Sasono, E. J.; Pramono, S.; Wandono, A. T.

    2018-03-01

    The development of marine transportation needs in Indonesia increasingly opens national shipyard business opportunities to provide shipbuilding services to the shipbuilding vessels. That emphasizes the stability of prime. The ship's decking door becomes an integral part of the efficient place and the specification of the use of the asset of its operational ease. This study aims to test the stability of Dry Dock gate with the length of 35.4 meters using Maxsurf and Hydromax in analyzing the calculation were in its assessment using interval per 500 mm length so that it can get detail data toward longitudinal and transverse such as studying Ship planning in general. The test result shows dry dock gate meets IMO standard with ballast construction containing 54% and 68% and using fix ballast can produce GMt 1,924 m, tide height 11,357m. The GMt value indicates dry dick gate can be stable and firmly erect at the base of the mouth dry dock. When empty ballast produces GMt 0.996 which means dry dock date is stable, but can easily be torn down. The condition can be used during dry dock gate treatment.

  15. A python-based docking program utilizing a receptor bound ligand shape: PythDock.

    Science.gov (United States)

    Chung, Jae Yoon; Cho, Seung Joo; Hah, Jung-Mi

    2011-09-01

    PythDock is a heuristic docking program that uses Python programming language with a simple scoring function and a population based search engine. The scoring function considers electrostatic and dispersion/repulsion terms. The search engine utilizes a particle swarm optimization algorithm. A grid potential map is generated using the shape information of a bound ligand within the active site. Therefore, the searching area is more relevant to the ligand binding. To evaluate the docking performance of PythDock, two well-known docking programs (AutoDock and DOCK) were also used with the same data. The accuracy of docked results were measured by the difference of the ligand structure between x-ray structure, and docked pose, i.e., average root mean squared deviation values of the bound ligand were compared for fourteen protein-ligand complexes. Since the number of ligands' rotational flexibility is an important factor affecting the accuracy of a docking, the data set was chosen to have various degrees of flexibility. Although PythDock has a scoring function simpler than those of other programs (AutoDock and DOCK), our results showed that PythDock predicted more accurate poses than both AutoDock4.2 and DOCK6.2. This indicates that PythDock could be a useful tool to study ligand-receptor interactions and could also be beneficial in structure based drug design.

  16. Text Mining for Protein Docking.

    Directory of Open Access Journals (Sweden)

    Varsha D Badal

    2015-12-01

    Full Text Available The rapidly growing amount of publicly available information from biomedical research is readily accessible on the Internet, providing a powerful resource for predictive biomolecular modeling. The accumulated data on experimentally determined structures transformed structure prediction of proteins and protein complexes. Instead of exploring the enormous search space, predictive tools can simply proceed to the solution based on similarity to the existing, previously determined structures. A similar major paradigm shift is emerging due to the rapidly expanding amount of information, other than experimentally determined structures, which still can be used as constraints in biomolecular structure prediction. Automated text mining has been widely used in recreating protein interaction networks, as well as in detecting small ligand binding sites on protein structures. Combining and expanding these two well-developed areas of research, we applied the text mining to structural modeling of protein-protein complexes (protein docking. Protein docking can be significantly improved when constraints on the docking mode are available. We developed a procedure that retrieves published abstracts on a specific protein-protein interaction and extracts information relevant to docking. The procedure was assessed on protein complexes from Dockground (http://dockground.compbio.ku.edu. The results show that correct information on binding residues can be extracted for about half of the complexes. The amount of irrelevant information was reduced by conceptual analysis of a subset of the retrieved abstracts, based on the bag-of-words (features approach. Support Vector Machine models were trained and validated on the subset. The remaining abstracts were filtered by the best-performing models, which decreased the irrelevant information for ~ 25% complexes in the dataset. The extracted constraints were incorporated in the docking protocol and tested on the Dockground unbound

  17. NASA Docking System (NDS) Technical Integration Meeting

    Science.gov (United States)

    Lewis, James L.

    2010-01-01

    This slide presentation reviews the NASA Docking System (NDS) as NASA's implementation of the International Docking System Standard (IDSS). The goals of the NDS, is to build on proven technologies previously demonstrated in flight and to advance the state of the art of docking systems by incorporating Low Impact Docking System (LIDS) technology into the NDS. A Hardware Demonstration was included in the meeting, and there was discussion about software, NDS major system interfaces, integration information, schedule, and future upgrades.

  18. Spacecraft Spin Test Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Provides the capability to correct unbalances of spacecraft by using dynamic measurement techniques and static/coupled measurements to provide products of...

  19. Spent fuel canister docking station

    International Nuclear Information System (INIS)

    Suikki, M.

    2006-01-01

    The working report for the spent fuel canister docking station presents a design for the operation and structure of the docking equipment located in the fuel handling cell for the spent fuel in the encapsulation plant. The report contains a description of the basic requirements for the docking station equipment and their implementation, the operation of the equipment, maintenance and a cost estimate. In the designing of the equipment all the problems related with the operation have been solved at the level of principle, nevertheless, detailed designing and the selection of final components have not yet been carried out. In case of defects and failures, solutions have been considered for postulated problems, and furthermore, the entire equipment was gone through by the means of systematic risk analysis (PFMEA). During the docking station designing we came across with needs to influence the structure of the actual disposal canister for spent nuclear fuel, too. Proposed changes for the structure of the steel lid fastening screw were included in the report. The report also contains a description of installation with the fuel handling cell structures. The purpose of the docking station for the fuel handling cell is to position and to seal the disposal canister for spent nuclear fuel into a penetration located on the cell floor and to provide suitable means for executing the loading of the disposal canister and the changing of atmosphere. The designed docking station consists of a docking ring, a covering hatch, a protective cone and an atmosphere-changing cap as well as the vacuum technology pertaining to the changing of atmosphere and the inert gas system. As far as the solutions are concerned, we have arrived at rather simple structures and most of the actuators of the system are situated outside of the actual fuel handling cell. When necessary, the equipment can also be used for the dismantling of a faulty disposal canister, cut from its upper end by machining. The

  20. Operational Philosophy Concerning Manned Spacecraft Cabin Leaks

    Science.gov (United States)

    DeSimpelaere, Edward

    2011-01-01

    The last thirty years have seen the Space Shuttle as the prime United States spacecraft for manned spaceflight missions. Many lessons have been learned about spacecraft design and operation throughout these years. Over the next few decades, a large increase of manned spaceflight in the commercial sector is expected. This will result in the exposure of commercial crews and passengers to many of the same risks crews of the Space Shuttle have encountered. One of the more dire situations that can be encountered is the loss of pressure in the habitable volume of the spacecraft during on orbit operations. This is referred to as a cabin leak. This paper seeks to establish a general cabin leak response philosophy with the intent of educating future spacecraft designers and operators. After establishing a relative definition for a cabin leak, the paper covers general descriptions of detection equipment, detection methods, and general operational methods for management of a cabin leak. Subsequently, all these items are addressed from the perspective of the Space Shuttle Program, as this will be of the most value to future spacecraft due to similar operating profiles. Emphasis here is placed upon why and how these methods and philosophies have evolved to meet the Space Shuttle s needs. This includes the core ideas of: considerations of maintaining higher cabin pressures vs. lower cabin pressures, the pros and cons of a system designed to feed the leak with gas from pressurized tanks vs. using pressure suits to protect against lower cabin pressures, timeline and consumables constraints, re-entry considerations with leaks of unknown origin, and the impact the International Space Station (ISS) has had to the standard Space Shuttle cabin leak response philosophy. This last item in itself includes: procedural management differences, hardware considerations, additional capabilities due to the presence of the ISS and its resource, and ISS docking/undocking considerations with a

  1. Spacecraft Charge Monitor

    Science.gov (United States)

    Goembel, L.

    2003-12-01

    We are currently developing a flight prototype Spacecraft Charge Monitor (SCM) with support from NASA's Small Business Innovation Research (SBIR) program. The device will use a recently proposed high energy-resolution electron spectroscopic technique to determine spacecraft floating potential. The inspiration for the technique came from data collected by the Atmosphere Explorer (AE) satellites in the 1970s. The data available from the AE satellites indicate that the SCM may be able to determine spacecraft floating potential to within 0.1 V under certain conditions. Such accurate measurement of spacecraft charge could be used to correct biases in space plasma measurements. The device may also be able to measure spacecraft floating potential in the solar wind and in orbit around other planets.

  2. Shared control on lunar spacecraft teleoperation rendezvous operations with large time delay

    Science.gov (United States)

    Ya-kun, Zhang; Hai-yang, Li; Rui-xue, Huang; Jiang-hui, Liu

    2017-08-01

    Teleoperation could be used in space on-orbit serving missions, such as object deorbits, spacecraft approaches, and automatic rendezvous and docking back-up systems. Teleoperation rendezvous and docking in lunar orbit may encounter bottlenecks for the inherent time delay in the communication link and the limited measurement accuracy of sensors. Moreover, human intervention is unsuitable in view of the partial communication coverage problem. To solve these problems, a shared control strategy for teleoperation rendezvous and docking is detailed. The control authority in lunar orbital maneuvers that involves two spacecraft as rendezvous and docking in the final phase was discussed in this paper. The predictive display model based on the relative dynamic equations is established to overcome the influence of the large time delay in communication link. We discuss and attempt to prove via consistent, ground-based simulations the relative merits of fully autonomous control mode (i.e., onboard computer-based), fully manual control (i.e., human-driven at the ground station) and shared control mode. The simulation experiments were conducted on the nine-degrees-of-freedom teleoperation rendezvous and docking simulation platform. Simulation results indicated that the shared control methods can overcome the influence of time delay effects. In addition, the docking success probability of shared control method was enhanced compared with automatic and manual modes.

  3. Dimerization of DOCK2 is essential for DOCK2-mediated Rac activation and lymphocyte migration.

    Directory of Open Access Journals (Sweden)

    Masao Terasawa

    Full Text Available The migratory properties of lymphocytes depend on DOCK2, an atypical Rac activator predominantly expressed in hematopoietic cells. Although DOCK2 does not contain the Dbl homology domain typically found in guanine nucleotide exchange factors (GEFs, DOCK2 mediates the GTP-GDP exchange reaction for Rac via its DOCK homology region (DHR-2 (also known as CZH2 or Docker domain. DOCK2 DHR-2 domain is composed of three lobes, and Rac binding site and catalytic center are generated entirely from lobes B and C. On the other hand, lobe A has been implicated in dimer formation, yet its physiological significance remains unknown. Here, we report that lobe A-mediated DOCK2 dimerization is crucial for Rac activation and lymphocyte migration. We found that unlike wild-type DOCK2, DOCK2 mutant lacking lobe A failed to restore motility and polarity when expressed in thymoma cells and primary T cells lacking endogenous expression of DOCK2. Similar results were obtained with the DOCK2 point mutant having a defect in dimerization. Deletion of lobe A from the DHR-2 domain did not affect Rac GEF activity in vitro. However, fluorescence resonance energy transfer analyses revealed that lobe A is required for DOCK2 to activate Rac effectively during cell migration. Our results thus indicate that DOCK2 dimerization is functionally important under the physiological condition where only limited amounts of DOCK2 and Rac are localized to the plasma membrane.

  4. Fractionated Spacecraft Architectures Seeding Study

    National Research Council Canada - National Science Library

    Mathieu, Charlotte; Weigel, Annalisa

    2006-01-01

    .... Models were developed from a customer-centric perspective to assess different fractionated spacecraft architectures relative to traditional spacecraft architectures using multi-attribute analysis...

  5. Spacecraft momentum control systems

    CERN Document Server

    Leve, Frederick A; Peck, Mason A

    2015-01-01

    The goal of this book is to serve both as a practical technical reference and a resource for gaining a fuller understanding of the state of the art of spacecraft momentum control systems, specifically looking at control moment gyroscopes (CMGs). As a result, the subject matter includes theory, technology, and systems engineering. The authors combine material on system-level architecture of spacecraft that feature momentum-control systems with material about the momentum-control hardware and software. This also encompasses material on the theoretical and algorithmic approaches to the control of space vehicles with CMGs. In essence, CMGs are the attitude-control actuators that make contemporary highly agile spacecraft possible. The rise of commercial Earth imaging, the advances in privately built spacecraft (including small satellites), and the growing popularity of the subject matter in academic circles over the past decade argues that now is the time for an in-depth treatment of the topic. CMGs are augmented ...

  6. Spacecraft Material Outgassing Data

    Data.gov (United States)

    National Aeronautics and Space Administration — This compilation of outgassing data of materials intended for spacecraft use were obtained at the Goddard Space Flight Center (GSFC), utilizing equipment developed...

  7. Spacecraft Fire Safety Demonstration

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of the Spacecraft Fire Safety Demonstration project is to develop and conduct large-scale fire safety experiments on an International Space Station...

  8. Quick spacecraft charging primer

    International Nuclear Information System (INIS)

    Larsen, Brian Arthur

    2014-01-01

    This is a presentation in PDF format which is a quick spacecraft charging primer, meant to be used for program training. It goes into detail about charging physics, RBSP examples, and how to identify charging.

  9. Deployable Brake for Spacecraft

    Science.gov (United States)

    Rausch, J. R.; Maloney, J. W.

    1987-01-01

    Aerodynamic shield that could be opened and closed proposed. Report presents concepts for deployable aerodynamic brake. Brake used by spacecraft returning from high orbit to low orbit around Earth. Spacecraft makes grazing passes through atmosphere to slow down by drag of brake. Brake flexible shield made of woven metal or ceramic withstanding high temperatures created by air friction. Stored until needed, then deployed by set of struts.

  10. ADRC for spacecraft attitude and position synchronization in libration point orbits

    Science.gov (United States)

    Gao, Chen; Yuan, Jianping; Zhao, Yakun

    2018-04-01

    This paper addresses the problem of spacecraft attitude and position synchronization in libration point orbits between a leader and a follower. Using dual quaternion, the dimensionless relative coupled dynamical model is derived considering computation efficiency and accuracy. Then a model-independent dimensionless cascade pose-feedback active disturbance rejection controller is designed to spacecraft attitude and position tracking control problems considering parameter uncertainties and external disturbances. Numerical simulations for the final approach phase in spacecraft rendezvous and docking and formation flying are done, and the results show high-precision tracking errors and satisfactory convergent rates under bounded control torque and force which validate the proposed approach.

  11. 对接机构分系统研制%Development of Docking Subsystem

    Institute of Scientific and Technical Information of China (English)

    陈宝东; 郑云青; 邵济明; 陈萌

    2011-01-01

    The composition, control scheduling, design, and reliability and safety of the docking subsystem of China's Shenzhou-8 spaceship and Tiangong-1 target spacecraft were introduced in this paper. The key technologies of the general design, dynamic simulation, test and important part design in the design of the docking subsystem were given out. The tests, such as the general characteristic test, docking and separating test, docking test system in thermal vacuum, and life test, and test results were presented briefly. The whole research phase of the docking subsystem was reviewed.%介绍了我国神舟八号飞船和天宫一号目标飞行器对接试验的对接机构分系统的组成、控制时序、设计方案,以及可靠性与安全性。给出了对接机构分系统研制中总体设计、动力学仿真、试验和关键部件研制等关键技术,以及整机特性测试、连接分离试验、热真空对接与分离试验、寿命试验等验证情况。回顾了对接机构分系统的研制过程。

  12. Internet Technology on Spacecraft

    Science.gov (United States)

    Rash, James; Parise, Ron; Hogie, Keith; Criscuolo, Ed; Langston, Jim; Powers, Edward I. (Technical Monitor)

    2000-01-01

    The Operating Missions as Nodes on the Internet (OMNI) project has shown that Internet technology works in space missions through a demonstration using the UoSAT-12 spacecraft. An Internet Protocol (IP) stack was installed on the orbiting UoSAT-12 spacecraft and tests were run to demonstrate Internet connectivity and measure performance. This also forms the basis for demonstrating subsequent scenarios. This approach provides capabilities heretofore either too expensive or simply not feasible such as reconfiguration on orbit. The OMNI project recognized the need to reduce the risk perceived by mission managers and did this with a multi-phase strategy. In the initial phase, the concepts were implemented in a prototype system that includes space similar components communicating over the TDRS (space network) and the terrestrial Internet. The demonstration system includes a simulated spacecraft with sample instruments. Over 25 demonstrations have been given to mission and project managers, National Aeronautics and Space Administration (NASA), Department of Defense (DoD), contractor technologists and other decisions makers, This initial phase reached a high point with an OMNI demonstration given from a booth at the Johnson Space Center (JSC) Inspection Day 99 exhibition. The proof to mission managers is provided during this second phase with year 2000 accomplishments: testing the use of Internet technologies onboard an actual spacecraft. This was done with a series of tests performed using the UoSAT-12 spacecraft. This spacecraft was reconfigured on orbit at very low cost. The total period between concept and the first tests was only 6 months! On board software was modified to add an IP stack to support basic IP communications. Also added was support for ping, traceroute and network timing protocol (NTP) tests. These tests show that basic Internet functionality can be used onboard spacecraft. The performance of data was measured to show no degradation from current

  13. Mechanical Design of Spacecraft

    Science.gov (United States)

    1962-01-01

    In the spring of 1962, engineers from the Engineering Mechanics Division of the Jet Propulsion Laboratory gave a series of lectures on spacecraft design at the Engineering Design seminars conducted at the California Institute of Technology. Several of these lectures were subsequently given at Stanford University as part of the Space Technology seminar series sponsored by the Department of Aeronautics and Astronautics. Presented here are notes taken from these lectures. The lectures were conceived with the intent of providing the audience with a glimpse of the activities of a few mechanical engineers who are involved in designing, building, and testing spacecraft. Engineering courses generally consist of heavily idealized problems in order to allow the more efficient teaching of mathematical technique. Students, therefore, receive a somewhat limited exposure to actual engineering problems, which are typified by more unknowns than equations. For this reason it was considered valuable to demonstrate some of the problems faced by spacecraft designers, the processes used to arrive at solutions, and the interactions between the engineer and the remainder of the organization in which he is constrained to operate. These lecture notes are not so much a compilation of sophisticated techniques of analysis as they are a collection of examples of spacecraft hardware and associated problems. They will be of interest not so much to the experienced spacecraft designer as to those who wonder what part the mechanical engineer plays in an effort such as the exploration of space.

  14. Spacecraft Attitude Determination

    DEFF Research Database (Denmark)

    Bak, Thomas

    This thesis describes the development of an attitude determination system for spacecraft based only on magnetic field measurements. The need for such system is motivated by the increased demands for inexpensive, lightweight solutions for small spacecraft. These spacecraft demands full attitude...... determination based on simple, reliable sensors. Meeting these objectives with a single vector magnetometer is difficult and requires temporal fusion of data in order to avoid local observability problems. In order to guaranteed globally nonsingular solutions, quaternions are generally the preferred attitude...... is a detailed study of the influence of approximations in the modeling of the system. The quantitative effects of errors in the process and noise statistics are discussed in detail. The third contribution is the introduction of these methods to the attitude determination on-board the Ørsted satellite...

  15. Revamping Spacecraft Operational Intelligence

    Science.gov (United States)

    Hwang, Victor

    2012-01-01

    The EPOXI flight mission has been testing a new commercial system, Splunk, which employs data mining techniques to organize and present spacecraft telemetry data in a high-level manner. By abstracting away data-source specific details, Splunk unifies arbitrary data formats into one uniform system. This not only reduces the time and effort for retrieving relevant data, but it also increases operational visibility by allowing a spacecraft team to correlate data across many different sources. Splunk's scalable architecture coupled with its graphing modules also provide a solid toolset for generating data visualizations and building real-time applications such as browser-based telemetry displays.

  16. Dips spacecraft integration issues

    International Nuclear Information System (INIS)

    Determan, W.R.; Harty, R.B.

    1988-01-01

    The Department of Energy, in cooperation with the Department of Defense, has recently initiated the dynamic isotope power system (DIPS) demonstration program. DIPS is designed to provide 1 to 10 kW of electrical power for future military spacecraft. One of the near-term missions considered as a potential application for DIPS was the boost surveillance and tracking system (BSTS). A brief review and summary of the reasons behind a selection of DIPS for BSTS-type missions is presented. Many of these are directly related to spacecraft integration issues; these issues will be reviewed in the areas of system safety, operations, survivability, reliability, and autonomy

  17. GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking

    Science.gov (United States)

    Baek, Minkyung; Shin, Woong-Hee; Chung, Hwan Won; Seok, Chaok

    2017-07-01

    Protein-ligand docking is a useful tool for providing atomic-level understanding of protein functions in nature and design principles for artificial ligands or proteins with desired properties. The ability to identify the true binding pose of a ligand to a target protein among numerous possible candidate poses is an essential requirement for successful protein-ligand docking. Many previously developed docking scoring functions were trained to reproduce experimental binding affinities and were also used for scoring binding poses. However, in this study, we developed a new docking scoring function, called GalaxyDock BP2 Score, by directly training the scoring power of binding poses. This function is a hybrid of physics-based, empirical, and knowledge-based score terms that are balanced to strengthen the advantages of each component. The performance of the new scoring function exhibits significant improvement over existing scoring functions in decoy pose discrimination tests. In addition, when the score is used with the GalaxyDock2 protein-ligand docking program, it outperformed other state-of-the-art docking programs in docking tests on the Astex diverse set, the Cross2009 benchmark set, and the Astex non-native set. GalaxyDock BP2 Score and GalaxyDock2 with this score are freely available at http://galaxy.seoklab.org/softwares/galaxydock.html.

  18. Computational methods for molecular docking

    Energy Technology Data Exchange (ETDEWEB)

    Klebe, G. [BASF AG, Ludwigshafen (Germany); Lengauer, T.

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. Recently, it has been demonstrated that the knowledge of the three-dimensional structure of the protein can be used to derive new protein ligands with improved binding properties. This tutorial focuses on the following questions: What is its binding affinity toward a particular receptor? What are putative conformations of a ligand at the binding site? What are the similarities of different ligands in terms of their recognition capabilities? Where and in which orientation will a ligand bind to the active site? How is a new putative protein ligand selected? An overview is presented of the algorithms which are presently used to handle and predict protein-ligand interactions and to dock small molecule ligands into proteins.

  19. Effects of wood preservative leachates from docks

    Energy Technology Data Exchange (ETDEWEB)

    Wendt, P.H.; Van Dolah, R.F.; Bobo, M.Y.; Mathews, T.D. [South Carolina Marine Resources Research Inst., Charleston, SC (United States)

    1994-12-31

    Recent evidence indicates that the wood preservative commonly used in dock pilings (chromated copper arsenate or CCA) is highly toxic to several estuarine organisms in laboratory experiments. Increasing demand for residential docks prompted a field study intended to complement these earlier laboratory investigations. Objectives of the study were to: (1) examine concentrations of Cu, Cr, and As in sediments and oysters from intertidal locations in several creeks with and without high densities of docks; (2) examine the bioaccumulation of wood preservative leachates by laboratory-reared oysters transferred to field sites near and distant from newly constructed docks; and (3) investigate the acute toxicity of wood preservative leachates for several species of estuarine fishes and invertebrates exposed to these compounds in the field. Preliminary results indicate that sediment concentrations of all three metals were well below ER-L levels reported by Long and Morgan at all but one dock site. In an ancillary study, 24h LC{sub 50} bioassays were performed using rotifers (Brachionus plicatilis) which were exposed to pore water from sediments in creeks with and without docks. Toxicities of bulk sediments from the same sites were examined using Microtox which measures decreases in bioluminescence of marine bacteria (Photobacterium phosphoreum) as a function of sediment concentration. Neither the rotifer nor the Microtox bioassays showed any significant differences in toxicity between creeks with and without docks.

  20. Rosetta Ligand docking with flexible XML protocols.

    Science.gov (United States)

    Lemmon, Gordon; Meiler, Jens

    2012-01-01

    RosettaLigand is premiere software for predicting how a protein and a small molecule interact. Benchmark studies demonstrate that 70% of the top scoring RosettaLigand predicted interfaces are within 2Å RMSD from the crystal structure [1]. The latest release of Rosetta ligand software includes many new features, such as (1) docking of multiple ligands simultaneously, (2) representing ligands as fragments for greater flexibility, (3) redesign of the interface during docking, and (4) an XML script based interface that gives the user full control of the ligand docking protocol.

  1. Vehicle routing with cross-docking

    DEFF Research Database (Denmark)

    Wen, Min; Larsen, Jesper; Clausen, Jens

    2009-01-01

    a set of homogeneous vehicles are used to transport orders from the suppliers to the corresponding customers via a cross-dock. The orders can be consolidated at the cross-dock but cannot be stored for very long because the cross-dock does not have long-term inventory-holding capabilities. The objective...... of the VRPCD is to minimize the total travel time while respecting time window constraints at the nodes and a time horizon for the whole transportation operation. In this paper, a mixed integer programming formulation for the VRPCD is proposed. A tabu search heuristic is embedded within an adaptive memory...... values) within very short computational time....

  2. Spacecraft Thermal Management

    Science.gov (United States)

    Hurlbert, Kathryn Miller

    2009-01-01

    In the 21st century, the National Aeronautics and Space Administration (NASA), the Russian Federal Space Agency, the National Space Agency of Ukraine, the China National Space Administration, and many other organizations representing spacefaring nations shall continue or newly implement robust space programs. Additionally, business corporations are pursuing commercialization of space for enabling space tourism and capital business ventures. Future space missions are likely to include orbiting satellites, orbiting platforms, space stations, interplanetary vehicles, planetary surface missions, and planetary research probes. Many of these missions will include humans to conduct research for scientific and terrestrial benefits and for space tourism, and this century will therefore establish a permanent human presence beyond Earth s confines. Other missions will not include humans, but will be autonomous (e.g., satellites, robotic exploration), and will also serve to support the goals of exploring space and providing benefits to Earth s populace. This section focuses on thermal management systems for human space exploration, although the guiding principles can be applied to unmanned space vehicles as well. All spacecraft require a thermal management system to maintain a tolerable thermal environment for the spacecraft crew and/or equipment. The requirements for human rating and the specified controlled temperature range (approximately 275 K - 310 K) for crewed spacecraft are unique, and key design criteria stem from overall vehicle and operational/programatic considerations. These criteria include high reliability, low mass, minimal power requirements, low development and operational costs, and high confidence for mission success and safety. This section describes the four major subsystems for crewed spacecraft thermal management systems, and design considerations for each. Additionally, some examples of specialized or advanced thermal system technologies are presented

  3. Multi-Axis Independent Electromechanical Load Control for Docking System Actuation Development and Verification Using dSPACE

    Science.gov (United States)

    Oesch, Christopher; Dick, Brandon; Rupp, Timothy

    2015-01-01

    The development of highly complex and advanced actuation systems to meet customer demands has accelerated as the use of real-time testing technology expands into multiple markets at Moog. Systems developed for the autonomous docking of human rated spacecraft to the International Space Station (ISS), envelope multi-operational characteristics which place unique constraints on an actuation system. Real-time testing hardware has been used as a platform for incremental testing and development for the linear actuation system which controls initial capture and docking for vehicles visiting the ISS. This presentation will outline the role of dSPACE hardware as a platform for rapid control-algorithm prototyping as well as an Electromechanical Actuator (EMA) system dynamic loading simulator, both conducted at Moog to develop the safety critical Linear Actuator System (LAS) of the NASA Docking System (NDS).

  4. Why are most EU pigs tail docked?

    DEFF Research Database (Denmark)

    D'eath, R.B.; Niemi, J.K.; Vosough Ahmadi, B.

    2016-01-01

    To limit tail biting incidence, most pig producers in Europe tail dock their piglets. This is despite EU Council Directive 2008/120/EC banning routine tail docking and allowing it only as a last resort. The paper aims to understand what it takes to fulfil the intentions of the Directive...... by examining economic results of four management and housing scenarios, and by discussing their consequences for animal welfare in the light of legal and ethical considerations. The four scenarios compared are: ‘Standard Docked’, a conventional housing scenario with tail docking meeting the recommendations...... for Danish production (0.7 m2/pig); ‘Standard Undocked’, which is the same as ‘Standard Docked’ but with no tail docking, ‘Efficient Undocked’ and ‘Enhanced Undocked’, which have increased solid floor area (0.9 and 1.0 m2/pig, respectively) provision of loose manipulable materials (100 and 200 g/straw per...

  5. Dockomatic - automated ligand creation and docking.

    Science.gov (United States)

    Bullock, Casey W; Jacob, Reed B; McDougal, Owen M; Hampikian, Greg; Andersen, Tim

    2010-11-08

    The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI) application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

  6. Dockomatic - automated ligand creation and docking

    Directory of Open Access Journals (Sweden)

    Hampikian Greg

    2010-11-01

    Full Text Available Abstract Background The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. Results DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. Conclusions DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

  7. Automated docking screens: a feasibility study.

    Science.gov (United States)

    Irwin, John J; Shoichet, Brian K; Mysinger, Michael M; Huang, Niu; Colizzi, Francesco; Wassam, Pascal; Cao, Yiqun

    2009-09-24

    Molecular docking is the most practical approach to leverage protein structure for ligand discovery, but the technique retains important liabilities that make it challenging to deploy on a large scale. We have therefore created an expert system, DOCK Blaster, to investigate the feasibility of full automation. The method requires a PDB code, sometimes with a ligand structure, and from that alone can launch a full screen of large libraries. A critical feature is self-assessment, which estimates the anticipated reliability of the automated screening results using pose fidelity and enrichment. Against common benchmarks, DOCK Blaster recapitulates the crystal ligand pose within 2 A rmsd 50-60% of the time; inferior to an expert, but respectrable. Half the time the ligand also ranked among the top 5% of 100 physically matched decoys chosen on the fly. Further tests were undertaken culminating in a study of 7755 eligible PDB structures. In 1398 cases, the redocked ligand ranked in the top 5% of 100 property-matched decoys while also posing within 2 A rmsd, suggesting that unsupervised prospective docking is viable. DOCK Blaster is available at http://blaster.docking.org .

  8. Spacecraft exploration of asteroids

    International Nuclear Information System (INIS)

    Veverka, J.; Langevin, Y.; Farquhar, R.; Fulchignoni, M.

    1989-01-01

    After two decades of spacecraft exploration, we still await the first direct investigation of an asteroid. This paper describes how a growing international interest in the solar system's more primitive bodies should remedy this. Plans are under way in Europe for a dedicated asteroid mission (Vesta) which will include multiple flybys with in situ penetrator studies. Possible targets include 4 Vesta, 8 Flora and 46 Hestia; launch its scheduled for 1994 or 1996. In the United States, NASA plans include flybys of asteroids en route to outer solar system targets

  9. Toward autonomous spacecraft

    Science.gov (United States)

    Fogel, L. J.; Calabrese, P. G.; Walsh, M. J.; Owens, A. J.

    1982-01-01

    Ways in which autonomous behavior of spacecraft can be extended to treat situations wherein a closed loop control by a human may not be appropriate or even possible are explored. Predictive models that minimize mean least squared error and arbitrary cost functions are discussed. A methodology for extracting cyclic components for an arbitrary environment with respect to usual and arbitrary criteria is developed. An approach to prediction and control based on evolutionary programming is outlined. A computer program capable of predicting time series is presented. A design of a control system for a robotic dense with partially unknown physical properties is presented.

  10. Scheduling Trucks in a Cross-Dock with Mixed Service Mode Dock Doors

    DEFF Research Database (Denmark)

    Bodnar, Peter; Azadeh, Kaveh; Koster, René de

    2017-01-01

    The problem considered in this paper is how to schedule inbound and outbound trucks subject to time windows at a multidoor cross-dock. Dock doors can either be dedicated to inbound or outbound trucks or be capable of handling both truck types. In addition, loads are allowed to be temporarily...

  11. Multi-Sensor Testing for Automated Rendezvous and Docking Sensor Testing at the Flight Robotics Laboratory

    Science.gov (United States)

    Brewster, L.; Johnston, A.; Howard, R.; Mitchell, J.; Cryan, S.

    2007-01-01

    The Exploration Systems Architecture defines missions that require rendezvous, proximity operations, and docking (RPOD) of two spacecraft both in Low Earth Orbit (LEO) and in Low Lunar Orbit (LLO). Uncrewed spacecraft must perform automated and/or autonomous rendezvous, proximity operations and docking operations (commonly known as AR&D). The crewed missions may also perform rendezvous and docking operations and may require different levels of automation and/or autonomy, and must provide the crew with relative navigation information for manual piloting. The capabilities of the RPOD sensors are critical to the success of the Exploration Program. NASA has the responsibility to determine whether the Crew Exploration Vehicle (CEV) contractor proposed relative navigation sensor suite will meet the requirements. The relatively low technology readiness level of AR&D relative navigation sensors has been carried as one of the CEV Project's top risks. The AR&D Sensor Technology Project seeks to reduce the risk by the testing and analysis of selected relative navigation sensor technologies through hardware-in-the-loop testing and simulation. These activities will provide the CEV Project information to assess the relative navigation sensors maturity as well as demonstrate test methods and capabilities. The first year of this project focused on a series of"pathfinder" testing tasks to develop the test plans, test facility requirements, trajectories, math model architecture, simulation platform, and processes that will be used to evaluate the Contractor-proposed sensors. Four candidate sensors were used in the first phase of the testing. The second phase of testing used four sensors simultaneously: two Marshall Space Flight Center (MSFC) Advanced Video Guidance Sensors (AVGS), a laser-based video sensor that uses retroreflectors attached to the target vehicle, and two commercial laser range finders. The multi-sensor testing was conducted at MSFC's Flight Robotics Laboratory (FRL

  12. Multi-Sensor Testing for Automated Rendezvous and Docking Sensor Testing at the Flight Robotics Lab

    Science.gov (United States)

    Brewster, Linda L.; Howard, Richard T.; Johnston, A. S.; Carrington, Connie; Mitchell, Jennifer D.; Cryan, Scott P.

    2008-01-01

    The Exploration Systems Architecture defines missions that require rendezvous, proximity operations, and docking (RPOD) of two spacecraft both in Low Earth Orbit (LEO) and in Low Lunar Orbit (LLO). Uncrewed spacecraft must perform automated and/or autonomous rendezvous, proximity operations and docking operations (commonly known as AR&D). The crewed missions may also perform rendezvous and docking operations and may require different levels of automation and/or autonomy, and must provide the crew with relative navigation information for manual piloting. The capabilities of the RPOD sensors are critical to the success ofthe Exploration Program. NASA has the responsibility to determine whether the Crew Exploration Vehicle (CEV) contractor-proposed relative navigation sensor suite will meet the requirements. The relatively low technology readiness level of AR&D relative navigation sensors has been carried as one of the CEV Project's top risks. The AR&D Sensor Technology Project seeks to reduce the risk by the testing and analysis of selected relative navigation sensor technologies through hardware-in-the-Ioop testing and simulation. These activities will provide the CEV Project information to assess the relative navigation sensors maturity as well as demonstrate test methods and capabilities. The first year of this project focused on a series of "pathfinder" testing tasks to develop the test plans, test facility requirements, trajectories, math model architecture, simulation platform, and processes that will be used to evaluate the Contractor-proposed sensors. Four candidate sensors were used in the first phase of the testing. The second phase of testing used four sensors simultaneously: two Marshall Space Flight Center (MSFC) Advanced Video Guidance Sensors (AVGS), a laser-based video sensor that uses retroreflectors attached to the target vehicle, and two commercial laser range finders. The multi-sensor testing was conducted at MSFC's Flight Robotics Laboratory (FRL

  13. Docking screens: right for the right reasons?

    Science.gov (United States)

    Kolb, Peter; Irwin, John J

    2009-01-01

    Whereas docking screens have emerged as the most practical way to use protein structure for ligand discovery, an inconsistent track record raises questions about how well docking actually works. In its favor, a growing number of publications report the successful discovery of new ligands, often supported by experimental affinity data and controls for artifacts. Few reports, however, actually test the underlying structural hypotheses that docking makes. To be successful and not just lucky, prospective docking must not only rank a true ligand among the top scoring compounds, it must also correctly orient the ligand so the score it receives is biophysically sound. If the correct binding pose is not predicted, a skeptic might well infer that the discovery was serendipitous. Surveying over 15 years of the docking literature, we were surprised to discover how rarely sufficient evidence is presented to establish whether docking actually worked for the right reasons. The paucity of experimental tests of theoretically predicted poses undermines confidence in a technique that has otherwise become widely accepted. Of course, solving a crystal structure is not always possible, and even when it is, it can be a lot of work, and is not readily accessible to all groups. Even when a structure can be determined, investigators may prefer to gloss over an erroneous structural prediction to better focus on their discovery. Still, the absence of a direct test of theory by experiment is a loss for method developers seeking to understand and improve docking methods. We hope this review will motivate investigators to solve structures and compare them with their predictions whenever possible, to advance the field.

  14. Protein-protein docking with F(2Dock 2.0 and GB-rerank.

    Directory of Open Access Journals (Sweden)

    Rezaul Chowdhury

    Full Text Available Computational simulation of protein-protein docking can expedite the process of molecular modeling and drug discovery. This paper reports on our new F(2 Dock protocol which improves the state of the art in initial stage rigid body exhaustive docking search, scoring and ranking by introducing improvements in the shape-complementarity and electrostatics affinity functions, a new knowledge-based interface propensity term with FFT formulation, a set of novel knowledge-based filters and finally a solvation energy (GBSA based reranking technique. Our algorithms are based on highly efficient data structures including the dynamic packing grids and octrees which significantly speed up the computations and also provide guaranteed bounds on approximation error.The improved affinity functions show superior performance compared to their traditional counterparts in finding correct docking poses at higher ranks. We found that the new filters and the GBSA based reranking individually and in combination significantly improve the accuracy of docking predictions with only minor increase in computation time. We compared F(2 Dock 2.0 with ZDock 3.0.2 and found improvements over it, specifically among 176 complexes in ZLab Benchmark 4.0, F(2 Dock 2.0 finds a near-native solution as the top prediction for 22 complexes; where ZDock 3.0.2 does so for 13 complexes. F(2 Dock 2.0 finds a near-native solution within the top 1000 predictions for 106 complexes as opposed to 104 complexes for ZDock 3.0.2. However, there are 17 and 15 complexes where F(2 Dock 2.0 finds a solution but ZDock 3.0.2 does not and vice versa; which indicates that the two docking protocols can also complement each other.The docking protocol has been implemented as a server with a graphical client (TexMol which allows the user to manage multiple docking jobs, and visualize the docked poses and interfaces. Both the server and client are available for download. Server: http

  15. Protein-Protein Docking with F2Dock 2.0 and GB-Rerank

    Science.gov (United States)

    Chowdhury, Rezaul; Rasheed, Muhibur; Keidel, Donald; Moussalem, Maysam; Olson, Arthur; Sanner, Michel; Bajaj, Chandrajit

    2013-01-01

    Motivation Computational simulation of protein-protein docking can expedite the process of molecular modeling and drug discovery. This paper reports on our new F2 Dock protocol which improves the state of the art in initial stage rigid body exhaustive docking search, scoring and ranking by introducing improvements in the shape-complementarity and electrostatics affinity functions, a new knowledge-based interface propensity term with FFT formulation, a set of novel knowledge-based filters and finally a solvation energy (GBSA) based reranking technique. Our algorithms are based on highly efficient data structures including the dynamic packing grids and octrees which significantly speed up the computations and also provide guaranteed bounds on approximation error. Results The improved affinity functions show superior performance compared to their traditional counterparts in finding correct docking poses at higher ranks. We found that the new filters and the GBSA based reranking individually and in combination significantly improve the accuracy of docking predictions with only minor increase in computation time. We compared F2 Dock 2.0 with ZDock 3.0.2 and found improvements over it, specifically among 176 complexes in ZLab Benchmark 4.0, F2 Dock 2.0 finds a near-native solution as the top prediction for 22 complexes; where ZDock 3.0.2 does so for 13 complexes. F2 Dock 2.0 finds a near-native solution within the top 1000 predictions for 106 complexes as opposed to 104 complexes for ZDock 3.0.2. However, there are 17 and 15 complexes where F2 Dock 2.0 finds a solution but ZDock 3.0.2 does not and vice versa; which indicates that the two docking protocols can also complement each other. Availability The docking protocol has been implemented as a server with a graphical client (TexMol) which allows the user to manage multiple docking jobs, and visualize the docked poses and interfaces. Both the server and client are available for download. Server: http

  16. DockQ: A Quality Measure for Protein-Protein Docking Models.

    Directory of Open Access Journals (Sweden)

    Sankar Basu

    Full Text Available The state-of-the-art to assess the structural quality of docking models is currently based on three related yet independent quality measures: Fnat, LRMS, and iRMS as proposed and standardized by CAPRI. These quality measures quantify different aspects of the quality of a particular docking model and need to be viewed together to reveal the true quality, e.g. a model with relatively poor LRMS (>10Å might still qualify as 'acceptable' with a descent Fnat (>0.50 and iRMS (<3.0Å. This is also the reason why the so called CAPRI criteria for assessing the quality of docking models is defined by applying various ad-hoc cutoffs on these measures to classify a docking model into the four classes: Incorrect, Acceptable, Medium, or High quality. This classification has been useful in CAPRI, but since models are grouped in only four bins it is also rather limiting, making it difficult to rank models, correlate with scoring functions or use it as target function in machine learning algorithms. Here, we present DockQ, a continuous protein-protein docking model quality measure derived by combining Fnat, LRMS, and iRMS to a single score in the range [0, 1] that can be used to assess the quality of protein docking models. By using DockQ on CAPRI models it is possible to almost completely reproduce the original CAPRI classification into Incorrect, Acceptable, Medium and High quality. An average PPV of 94% at 90% Recall demonstrating that there is no need to apply predefined ad-hoc cutoffs to classify docking models. Since DockQ recapitulates the CAPRI classification almost perfectly, it can be viewed as a higher resolution version of the CAPRI classification, making it possible to estimate model quality in a more quantitative way using Z-scores or sum of top ranked models, which has been so valuable for the CASP community. The possibility to directly correlate a quality measure to a scoring function has been crucial for the development of scoring functions for

  17. DockQ: A Quality Measure for Protein-Protein Docking Models

    Science.gov (United States)

    Basu, Sankar

    2016-01-01

    The state-of-the-art to assess the structural quality of docking models is currently based on three related yet independent quality measures: Fnat, LRMS, and iRMS as proposed and standardized by CAPRI. These quality measures quantify different aspects of the quality of a particular docking model and need to be viewed together to reveal the true quality, e.g. a model with relatively poor LRMS (>10Å) might still qualify as 'acceptable' with a descent Fnat (>0.50) and iRMS (iRMS to a single score in the range [0, 1] that can be used to assess the quality of protein docking models. By using DockQ on CAPRI models it is possible to almost completely reproduce the original CAPRI classification into Incorrect, Acceptable, Medium and High quality. An average PPV of 94% at 90% Recall demonstrating that there is no need to apply predefined ad-hoc cutoffs to classify docking models. Since DockQ recapitulates the CAPRI classification almost perfectly, it can be viewed as a higher resolution version of the CAPRI classification, making it possible to estimate model quality in a more quantitative way using Z-scores or sum of top ranked models, which has been so valuable for the CASP community. The possibility to directly correlate a quality measure to a scoring function has been crucial for the development of scoring functions for protein structure prediction, and DockQ should be useful in a similar development in the protein docking field. DockQ is available at http://github.com/bjornwallner/DockQ/ PMID:27560519

  18. Solvated protein-DNA docking using HADDOCK

    Energy Technology Data Exchange (ETDEWEB)

    Dijk, Marc van; Visscher, Koen M.; Kastritis, Panagiotis L.; Bonvin, Alexandre M. J. J., E-mail: a.m.j.j.bonvin@uu.nl [Utrecht University, Bijvoet Center for Biomolecular Research, Faculty of Science-Chemistry (Netherlands)

    2013-05-15

    Interfacial water molecules play an important role in many aspects of protein-DNA specificity and recognition. Yet they have been mostly neglected in the computational modeling of these complexes. We present here a solvated docking protocol that allows explicit inclusion of water molecules in the docking of protein-DNA complexes and demonstrate its feasibility on a benchmark of 30 high-resolution protein-DNA complexes containing crystallographically-determined water molecules at their interfaces. Our protocol is capable of reproducing the solvation pattern at the interface and recovers hydrogen-bonded water-mediated contacts in many of the benchmark cases. Solvated docking leads to an overall improvement in the quality of the generated protein-DNA models for cases with limited conformational change of the partners upon complex formation. The applicability of this approach is demonstrated on real cases by docking a representative set of 6 complexes using unbound protein coordinates, model-built DNA and knowledge-based restraints. As HADDOCK supports the inclusion of a variety of NMR restraints, solvated docking is also applicable for NMR-based structure calculations of protein-DNA complexes.

  19. Solvated protein–DNA docking using HADDOCK

    International Nuclear Information System (INIS)

    Dijk, Marc van; Visscher, Koen M.; Kastritis, Panagiotis L.; Bonvin, Alexandre M. J. J.

    2013-01-01

    Interfacial water molecules play an important role in many aspects of protein–DNA specificity and recognition. Yet they have been mostly neglected in the computational modeling of these complexes. We present here a solvated docking protocol that allows explicit inclusion of water molecules in the docking of protein–DNA complexes and demonstrate its feasibility on a benchmark of 30 high-resolution protein–DNA complexes containing crystallographically-determined water molecules at their interfaces. Our protocol is capable of reproducing the solvation pattern at the interface and recovers hydrogen-bonded water-mediated contacts in many of the benchmark cases. Solvated docking leads to an overall improvement in the quality of the generated protein–DNA models for cases with limited conformational change of the partners upon complex formation. The applicability of this approach is demonstrated on real cases by docking a representative set of 6 complexes using unbound protein coordinates, model-built DNA and knowledge-based restraints. As HADDOCK supports the inclusion of a variety of NMR restraints, solvated docking is also applicable for NMR-based structure calculations of protein–DNA complexes.

  20. Rendezvous and Docking for Space Exploration

    Science.gov (United States)

    Machula, M. F.; Crain, T.; Sandhoo, G. S.

    2005-01-01

    To achieve the exploration goals, new approaches to exploration are being envisioned that include robotic networks, modular systems, pre-positioned propellants and in-space assembly in Earth orbit, Lunar orbit and other locations around the cosmos. A fundamental requirement for rendezvous and docking to accomplish in-space assembly exists in each of these locations. While existing systems and technologies can accomplish rendezvous and docking in low earth orbit, and rendezvous and docking with crewed systems has been successfully accomplished in low lunar orbit, our capability must extend toward autonomous rendezvous and docking. To meet the needs of the exploration vision in-space assembly requiring both crewed and uncrewed vehicles will be an integral part of the exploration architecture. This paper focuses on the intelligent application of autonomous rendezvous and docking technologies to meet the needs of that architecture. It also describes key technology investments that will increase the exploration program's ability to ensure mission success, regardless of whether the rendezvous are fully automated or have humans in the loop.

  1. Guidance and Navigation for Rendezvous and Proximity Operations with a Non-Cooperative Spacecraft at Geosynchronous Orbit

    Science.gov (United States)

    Barbee, Brent William; Carpenter, J. Russell; Heatwole, Scott; Markley, F. Landis; Moreau, Michael; Naasz, Bo J.; VanEepoel, John

    2010-01-01

    The feasibility and benefits of various spacecraft servicing concepts are currently being assessed, and all require that the servicer spacecraft perform rendezvous, proximity, and capture operations with the target spacecraft to be serviced. Many high-value spacecraft, which would be logical targets for servicing from an economic point of view, are located in geosynchronous orbit, a regime in which autonomous rendezvous and capture operations are not commonplace. Furthermore, existing GEO spacecraft were not designed to be serviced. Most do not have cooperative relative navigation sensors or docking features, and some servicing applications, such as de-orbiting of a non-functional spacecraft, entail rendezvous and capture with a spacecraft that may be non-functional or un-controlled. Several of these challenges have been explored via the design of a notional mission in which a nonfunctional satellite in geosynchronous orbit is captured by a servicer spacecraft and boosted into super-synchronous orbit for safe disposal. A strategy for autonomous rendezvous, proximity operations, and capture is developed, and the Orbit Determination Toolbox (ODTBX) is used to perform a relative navigation simulation to assess the feasibility of performing the rendezvous using a combination of angles-only and range measurements. Additionally, a method for designing efficient orbital rendezvous sequences for multiple target spacecraft is utilized to examine the capabilities of a servicer spacecraft to service multiple targets during the course of a single mission.

  2. Electro-optical rendezvous and docking sensors

    Science.gov (United States)

    Tubbs, David J.; Kesler, Lynn O.; Sirko, Robert J.

    1991-01-01

    Electro-optical sensors provide unique and critical functionality for space missions requiring rendezvous, docking, and berthing. McDonnell Douglas is developing a complete rendezvous and docking system for both manned and unmanned missions. This paper examines our sensor development and the systems and missions which benefit from rendezvous and docking sensors. Simulation results quantifying system performance improvements in key areas are given, with associated sensor performance requirements. A brief review of NASA-funded development activities and the current performance of electro-optical sensors for space applications is given. We will also describe current activities at McDonnell Douglas for a fully functional demonstration to address specific NASA mission needs.

  3. Protein docking prediction using predicted protein-protein interface

    Directory of Open Access Journals (Sweden)

    Li Bin

    2012-01-01

    Full Text Available Abstract Background Many important cellular processes are carried out by protein complexes. To provide physical pictures of interacting proteins, many computational protein-protein prediction methods have been developed in the past. However, it is still difficult to identify the correct docking complex structure within top ranks among alternative conformations. Results We present a novel protein docking algorithm that utilizes imperfect protein-protein binding interface prediction for guiding protein docking. Since the accuracy of protein binding site prediction varies depending on cases, the challenge is to develop a method which does not deteriorate but improves docking results by using a binding site prediction which may not be 100% accurate. The algorithm, named PI-LZerD (using Predicted Interface with Local 3D Zernike descriptor-based Docking algorithm, is based on a pair wise protein docking prediction algorithm, LZerD, which we have developed earlier. PI-LZerD starts from performing docking prediction using the provided protein-protein binding interface prediction as constraints, which is followed by the second round of docking with updated docking interface information to further improve docking conformation. Benchmark results on bound and unbound cases show that PI-LZerD consistently improves the docking prediction accuracy as compared with docking without using binding site prediction or using the binding site prediction as post-filtering. Conclusion We have developed PI-LZerD, a pairwise docking algorithm, which uses imperfect protein-protein binding interface prediction to improve docking accuracy. PI-LZerD consistently showed better prediction accuracy over alternative methods in the series of benchmark experiments including docking using actual docking interface site predictions as well as unbound docking cases.

  4. Protein docking prediction using predicted protein-protein interface.

    Science.gov (United States)

    Li, Bin; Kihara, Daisuke

    2012-01-10

    Many important cellular processes are carried out by protein complexes. To provide physical pictures of interacting proteins, many computational protein-protein prediction methods have been developed in the past. However, it is still difficult to identify the correct docking complex structure within top ranks among alternative conformations. We present a novel protein docking algorithm that utilizes imperfect protein-protein binding interface prediction for guiding protein docking. Since the accuracy of protein binding site prediction varies depending on cases, the challenge is to develop a method which does not deteriorate but improves docking results by using a binding site prediction which may not be 100% accurate. The algorithm, named PI-LZerD (using Predicted Interface with Local 3D Zernike descriptor-based Docking algorithm), is based on a pair wise protein docking prediction algorithm, LZerD, which we have developed earlier. PI-LZerD starts from performing docking prediction using the provided protein-protein binding interface prediction as constraints, which is followed by the second round of docking with updated docking interface information to further improve docking conformation. Benchmark results on bound and unbound cases show that PI-LZerD consistently improves the docking prediction accuracy as compared with docking without using binding site prediction or using the binding site prediction as post-filtering. We have developed PI-LZerD, a pairwise docking algorithm, which uses imperfect protein-protein binding interface prediction to improve docking accuracy. PI-LZerD consistently showed better prediction accuracy over alternative methods in the series of benchmark experiments including docking using actual docking interface site predictions as well as unbound docking cases.

  5. AnchorDock: Blind and Flexible Anchor-Driven Peptide Docking.

    Science.gov (United States)

    Ben-Shimon, Avraham; Niv, Masha Y

    2015-05-05

    The huge conformational space stemming from the inherent flexibility of peptides is among the main obstacles to successful and efficient computational modeling of protein-peptide interactions. Current peptide docking methods typically overcome this challenge using prior knowledge from the structure of the complex. Here we introduce AnchorDock, a peptide docking approach, which automatically targets the docking search to the most relevant parts of the conformational space. This is done by precomputing the free peptide's structure and by computationally identifying anchoring spots on the protein surface. Next, a free peptide conformation undergoes anchor-driven simulated annealing molecular dynamics simulations around the predicted anchoring spots. In the challenging task of a completely blind docking test, AnchorDock produced exceptionally good results (backbone root-mean-square deviation ≤ 2.2Å, rank ≤15) for 10 of 13 unbound cases tested. The impressive performance of AnchorDock supports a molecular recognition pathway that is driven via pre-existing local structural elements. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. SAMPL4 & DOCK3.7: lessons for automated docking procedures

    Science.gov (United States)

    Coleman, Ryan G.; Sterling, Teague; Weiss, Dahlia R.

    2014-03-01

    The SAMPL4 challenges were used to test current automated methods for solvation energy, virtual screening, pose and affinity prediction of the molecular docking pipeline DOCK 3.7. Additionally, first-order models of binding affinity were proposed as milestones for any method predicting binding affinity. Several important discoveries about the molecular docking software were made during the challenge: (1) Solvation energies of ligands were five-fold worse than any other method used in SAMPL4, including methods that were similarly fast, (2) HIV Integrase is a challenging target, but automated docking on the correct allosteric site performed well in terms of virtual screening and pose prediction (compared to other methods) but affinity prediction, as expected, was very poor, (3) Molecular docking grid sizes can be very important, serious errors were discovered with default settings that have been adjusted for all future work. Overall, lessons from SAMPL4 suggest many changes to molecular docking tools, not just DOCK 3.7, that could improve the state of the art. Future difficulties and projects will be discussed.

  7. Proximity Operations and Docking Sensor Development

    Science.gov (United States)

    Howard, Richard T.; Bryan, Thomas C.; Brewster, Linda L.; Lee, James E.

    2009-01-01

    The Next Generation Advanced Video Guidance Sensor (NGAVGS) has been under development for the last three years as a long-range proximity operations and docking sensor for use in an Automated Rendezvous and Docking (AR&D) system. The first autonomous rendezvous and docking in the history of the U.S. Space Program was successfully accomplished by Orbital Express, using the Advanced Video Guidance Sensor (AVGS) as the primary docking sensor. That flight proved that the United States now has a mature and flight proven sensor technology for supporting Crew Exploration Vehicles (CEV) and Commercial Orbital Transport Systems (COTS) Automated Rendezvous and Docking (AR&D). NASA video sensors have worked well in the past: the AVGS used on the Demonstration of Autonomous Rendezvous Technology (DART) mission operated successfully in spot mode out to 2 km, and the first generation rendezvous and docking sensor, the Video Guidance Sensor (VGS), was developed and successfully flown on Space Shuttle flights in 1997 and 1998. 12 Parts obsolescence issues prevent the construction of more AVGS units, and the next generation sensor was updated to allow it to support the CEV and COTS programs. The flight proven AR&D sensor has been redesigned to update parts and add additional capabilities for CEV and COTS with the development of the Next Generation AVGS at the Marshall Space Flight Center. The obsolete imager and processor are being replaced with new radiation tolerant parts. In addition, new capabilities include greater sensor range, auto ranging capability, and real-time video output. This paper presents some sensor hardware trades, use of highly integrated laser components, and addresses the needs of future vehicles that may rendezvous and dock with the International Space Station (ISS) and other Constellation vehicles. It also discusses approaches for upgrading AVGS to address parts obsolescence, and concepts for minimizing the sensor footprint, weight, and power requirements

  8. Short rendezvous missions for advanced Russian human spacecraft

    Science.gov (United States)

    Murtazin, Rafail F.; Budylov, Sergey G.

    2010-10-01

    The two-day stay of crew in a limited inhabited volume of the Soyuz-TMA spacecraft till docking to ISS is one of the most stressful parts of space flight. In this paper a number of possible ways to reduce the duration of the free flight phase are considered. The duration is defined by phasing strategy that is necessary for reduction of the phase angle between the chaser and target spacecraft. Some short phasing strategies could be developed. The use of such strategies creates more comfortable flight conditions for crew thanks to short duration and additionally it allows saving spacecraft's life support resources. The transition from the methods of direct spacecraft rendezvous using one orbit phasing (first flights of " Vostok" and " Soyuz" vehicles) to the currently used methods of two-day rendezvous mission can be observed in the history of Soviet manned space program. For an advanced Russian human rated spacecraft the short phasing strategy is recommended, which can be considered as a combination between the direct and two-day rendezvous missions. The following state of the art technologies are assumed available: onboard accurate navigation; onboard computations of phasing maneuvers; launch vehicle with high accuracy injection orbit, etc. Some operational requirements and constraints for the strategies are briefly discussed. In order to provide acceptable phase angles for possible launch dates the experience of the ISS altitude profile control can be used. As examples of the short phasing strategies, the following rendezvous missions are considered: direct ascent, short mission with the phasing during 3-7 orbits depending on the launch date (nominal or backup). For each option statistical modeling of the rendezvous mission is fulfilled, as well as an admissible phase angle range, accuracy of target state vector and addition fuel consumption coming out of emergency is defined. In this paper an estimation of pros and cons of all options is conducted.

  9. SwarmDock and the Use of Normal Modes in Protein-Protein Docking

    Directory of Open Access Journals (Sweden)

    Paul A. Bates

    2010-09-01

    Full Text Available Here is presented an investigation of the use of normal modes in protein-protein docking, both in theory and in practice. Upper limits of the ability of normal modes to capture the unbound to bound conformational change are calculated on a large test set, with particular focus on the binding interface, the subset of residues from which the binding energy is calculated. Further, the SwarmDock algorithm is presented, to demonstrate that the modelling of conformational change as a linear combination of normal modes is an effective method of modelling flexibility in protein-protein docking.

  10. Assembly and Design Miniaturization of Floating Spacecraft Simulator and Its Magnetic Docking Interface

    Science.gov (United States)

    2016-09-01

    10cm with minimal height, using a static mount instead of a ball mounting screw end would mitigate this concern. Figure 24. New Way Air Bearing...required if the air being used to fill the tank is from a 40 compressor designed for scuba tanks, as is the case in the SRL, it may be prudent to...tape to the bottom. 65 Step (12) Screw the assembled tank filler attachment to the air tank

  11. A Novel Docking System for Modular Self-Reconfigurable Robots

    Directory of Open Access Journals (Sweden)

    Tan Zhang

    2017-10-01

    Full Text Available Existing self-reconfigurable robots achieve connections and disconnections by a separate drive of the docking system. In this paper, we present a new docking system with which the connections and disconnections are driven by locomotion actuators, without the need for a separate drive, which reduces the weight and the complexity of the modules. This self-reconfigurable robot consists of two types of fundamental modules, i.e., active and passive modules. By the docking system, two types of connections are formed with the fundamental modules, and the docking and undocking actions are achieved through simple control with less sensory feedback. This paper describes the design of the robotic modules, the docking system, the docking process, and the docking force analysis. An experiment is performed to demonstrate the self-reconfigurable robot with the docking system.

  12. Small Spacecraft for Planetary Science

    Science.gov (United States)

    Baker, John; Castillo-Rogez, Julie; Bousquet, Pierre-W.; Vane, Gregg; Komarek, Tomas; Klesh, Andrew

    2016-07-01

    As planetary science continues to explore new and remote regions of the Solar system with comprehensive and more sophisticated payloads, small spacecraft offer the possibility for focused and more affordable science investigations. These small spacecraft or micro spacecraft (attitude control and determination, capable computer and data handling, and navigation are being met by technologies currently under development to be flown on CubeSats within the next five years. This paper will discuss how micro spacecraft offer an attractive alternative to accomplish specific science and technology goals and what relevant technologies are needed for these these types of spacecraft. Acknowledgements: Part of this work is being carried out at the Jet Propulsion Laboratory, California Institute of Technology under contract to NASA. Government sponsorship acknowledged.

  13. Printed Spacecraft Separation System

    Energy Technology Data Exchange (ETDEWEB)

    Dehoff, Ryan R [ORNL; Holmans, Walter [Planetary Systems Corporation

    2016-10-01

    In this project Planetary Systems Corporation proposed utilizing additive manufacturing (3D printing) to manufacture a titanium spacecraft separation system for commercial and US government customers to realize a 90% reduction in the cost and energy. These savings were demonstrated via “printing-in” many of the parts and sub-assemblies into one part, thus greatly reducing the labor associated with design, procurement, assembly and calibration of mechanisms. Planetary Systems Corporation redesigned several of the components of the separation system based on additive manufacturing principles including geometric flexibility and the ability to fabricate complex designs, ability to combine multiple parts of an assembly into a single component, and the ability to optimize design for specific mechanical property targets. Shock absorption was specifically targeted and requirements were established to attenuate damage to the Lightband system from shock of initiation. Planetary Systems Corporation redesigned components based on these requirements and sent the designs to Oak Ridge National Laboratory to be printed. ORNL printed the parts using the Arcam electron beam melting technology based on the desire for the parts to be fabricated from Ti-6Al-4V based on the weight and mechanical performance of the material. A second set of components was fabricated from stainless steel material on the Renishaw laser powder bed technology due to the improved geometric accuracy, surface finish, and wear resistance of the material. Planetary Systems Corporation evaluated these components and determined that 3D printing is potentially a viable method for achieving significant cost and savings metrics.

  14. Spectra and spacecraft

    Science.gov (United States)

    Moroz, V. I.

    2001-02-01

    In June 1999, Dr. Regis Courtin, Associate Editor of PSS, suggested that I write an article for the new section of this journal: "Planetary Pioneers". I hesitated , but decided to try. One of the reasons for my doubts was my primitive English, so I owe the reader an apology for this in advance. Writing took me much more time than I supposed initially, I have stopped and again returned to manuscript many times. My professional life may be divided into three main phases: pioneering work in ground-based IR astronomy with an emphasis on planetary spectroscopy (1955-1970), studies of the planets with spacecraft (1970-1989), and attempts to proceed with this work in difficult times. I moved ahead using the known method of trials and errors as most of us do. In fact, only a small percentage of efforts led to some important results, a sort of dry residue. I will try to describe below how has it been in my case: what may be estimated as the most important, how I came to this, what was around, etc.

  15. The HADDOCK web server for data-driven biomolecular docking

    NARCIS (Netherlands)

    de Vries, S.J.|info:eu-repo/dai/nl/304837717; van Dijk, M.|info:eu-repo/dai/nl/325811113; Bonvin, A.M.J.J.|info:eu-repo/dai/nl/113691238

    2010-01-01

    Computational docking is the prediction or modeling of the three-dimensional structure of a biomolecular complex, starting from the structures of the individual molecules in their free, unbound form. HADDOC K is a popular docking program that takes a datadriven approach to docking, with support for

  16. CovalentDock Cloud: a web server for automated covalent docking.

    Science.gov (United States)

    Ouyang, Xuchang; Zhou, Shuo; Ge, Zemei; Li, Runtao; Kwoh, Chee Keong

    2013-07-01

    Covalent binding is an important mechanism for many drugs to gain its function. We developed a computational algorithm to model this chemical event and extended it to a web server, the CovalentDock Cloud, to make it accessible directly online without any local installation and configuration. It provides a simple yet user-friendly web interface to perform covalent docking experiments and analysis online. The web server accepts the structures of both the ligand and the receptor uploaded by the user or retrieved from online databases with valid access id. It identifies the potential covalent binding patterns, carries out the covalent docking experiments and provides visualization of the result for user analysis. This web server is free and open to all users at http://docking.sce.ntu.edu.sg/.

  17. Docking to flexible nicotinic acetylcholine receptors

    DEFF Research Database (Denmark)

    Sander, Tommy; Bruun, Anne T; Balle, Thomas

    2010-01-01

    Computational docking to nicotinic acetylcholine receptors (nAChRs) and other members of the Cys-loop receptor family is complicated by the flexibility of the so-called C-loop. As observed in the large number of published crystal structures of the acetylcholine binding protein (AChBP), a structural...

  18. Compodock, a new device for sterile docking

    NARCIS (Netherlands)

    van der Meer, P. F.; Biekart, F. T.; Pietersz, R. N.; Rebers, S. P.; Reesink, H. W.

    2000-01-01

    BACKGROUND: A new device for sterile docking, the Compodock (Fresenius NPBI Transfusion Technology), was developed for connecting PVC tubing for medical use while maintaining sterility. STUDY DESIGN AND METHODS: Sterility of the connections was assessed by welding tubing with a heavy exterior

  19. Solvated protein-DNA docking using HADDOCK

    NARCIS (Netherlands)

    van Dijk, Marc; Visscher, Koen M; Bonvin, Alexandre M.J.J; Kastritis, Panagiotis L.

    2013-01-01

    Interfacial water molecules play an important role in many aspects of protein-DNA specificity and recognition. Yet they have been mostly neglected in the computational modeling of these complexes. We present here a solvated docking protocol that allows explicit inclusion of water molecules in the

  20. AnchorDock for Blind Flexible Docking of Peptides to Proteins.

    Science.gov (United States)

    Slutzki, Michal; Ben-Shimon, Avraham; Niv, Masha Y

    2017-01-01

    Due to increasing interest in peptides as signaling modulators and drug candidates, several methods for peptide docking to their target proteins are under active development. The "blind" docking problem, where the peptide-binding site on the protein surface is unknown, presents one of the current challenges in the field. AnchorDock protocol was developed by Ben-Shimon and Niv to address this challenge.This protocol narrows the docking search to the most relevant parts of the conformational space. This is achieved by pre-folding the free peptide and by computationally detecting anchoring spots on the surface of the unbound protein. Multiple flexible simulated annealing molecular dynamics (SAMD) simulations are subsequently carried out, starting from pre-folded peptide conformations, constrained to the various precomputed anchoring spots.Here, AnchorDock is demonstrated using two known protein-peptide complexes. A PDZ-peptide complex provides a relatively easy case due to the relatively small size of the protein, and a typical peptide conformation and binding region; a more challenging example is a complex between USP7 N-term and a p53-derived peptide, where the protein is larger, and the peptide conformation and a binding site are generally assumed to be unknown. AnchorDock returned native-like solutions ranked first and third for the PDZ and USP7 complexes, respectively. We describe the procedure step by step and discuss possible modifications where applicable.

  1. A Survey of LIDAR Technology and Its Use in Spacecraft Relative Navigation

    Science.gov (United States)

    Christian, John A.; Cryan, Scott P.

    2013-01-01

    This paper provides a survey of modern LIght Detection And Ranging (LIDAR) sensors from a perspective of how they can be used for spacecraft relative navigation. In addition to LIDAR technology commonly used in space applications today (e.g. scanning, flash), this paper reviews emerging LIDAR technologies gaining traction in other non-aerospace fields. The discussion will include an overview of sensor operating principles and specific pros/cons for each type of LIDAR. This paper provides a comprehensive review of LIDAR technology as applied specifically to spacecraft relative navigation. HE problem of orbital rendezvous and docking has been a consistent challenge for complex space missions since before the Gemini 8 spacecraft performed the first successful on-orbit docking of two spacecraft in 1966. Over the years, a great deal of effort has been devoted to advancing technology associated with all aspects of the rendezvous, proximity operations, and docking (RPOD) flight phase. After years of perfecting the art of crewed rendezvous with the Gemini, Apollo, and Space Shuttle programs, NASA began investigating the problem of autonomous rendezvous and docking (AR&D) to support a host of different mission applications. Some of these applications include autonomous resupply of the International Space Station (ISS), robotic servicing/refueling of existing orbital assets, and on-orbit assembly.1 The push towards a robust AR&D capability has led to an intensified interest in a number of different sensors capable of providing insight into the relative state of two spacecraft. The present work focuses on exploring the state-of-the-art in one of these sensors - LIght Detection And Ranging (LIDAR) sensors. It should be noted that the military community frequently uses the acronym LADAR (LAser Detection And Ranging) to refer to what this paper calls LIDARs. A LIDAR is an active remote sensing device that is typically used in space applications to obtain the range to one or more

  2. Spacecraft Charging and the Microwave Anisotropy Probe Spacecraft

    Science.gov (United States)

    Timothy, VanSant J.; Neergaard, Linda F.

    1998-01-01

    The Microwave Anisotropy Probe (MAP), a MIDEX mission built in partnership between Princeton University and the NASA Goddard Space Flight Center (GSFC), will study the cosmic microwave background. It will be inserted into a highly elliptical earth orbit for several weeks and then use a lunar gravity assist to orbit around the second Lagrangian point (L2), 1.5 million kilometers, anti-sunward from the earth. The charging environment for the phasing loops and at L2 was evaluated. There is a limited set of data for L2; the GEOTAIL spacecraft measured relatively low spacecraft potentials (approx. 50 V maximum) near L2. The main area of concern for charging on the MAP spacecraft is the well-established threat posed by the "geosynchronous region" between 6-10 Re. The launch in the autumn of 2000 will coincide with the falling of the solar maximum, a period when the likelihood of a substorm is higher than usual. The likelihood of a substorm at that time has been roughly estimated to be on the order of 20% for a typical MAP mission profile. Because of the possibility of spacecraft charging, a requirement for conductive spacecraft surfaces was established early in the program. Subsequent NASCAP/GEO analyses for the MAP spacecraft demonstrated that a significant portion of the sunlit surface (solar cell cover glass and sunshade) could have nonconductive surfaces without significantly raising differential charging. The need for conductive materials on surfaces continually in eclipse has also been reinforced by NASCAP analyses.

  3. Towards ligand docking including explicit interface water molecules.

    Directory of Open Access Journals (Sweden)

    Gordon Lemmon

    Full Text Available Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-detail accuracy including position and conformation the ligand but also conformational changes of the protein upon ligand binding. While successful in the majority of cases, docking algorithms including RosettaLigand fail in some cases to predict the correct protein/ligand complex structure. In this study we show that simultaneous docking of explicit interface water molecules greatly improves Rosetta's ability to distinguish correct from incorrect ligand poses. This result holds true for both protein-centric water docking wherein waters are located relative to the protein binding site and ligand-centric water docking wherein waters move with the ligand during docking. Protein-centric docking is used to model 99 HIV-1 protease/protease inhibitor structures. We find protease inhibitor placement improving at a ratio of 9:1 when one critical interface water molecule is included in the docking simulation. Ligand-centric docking is applied to 341 structures from the CSAR benchmark of diverse protein/ligand complexes [1]. Across this diverse dataset we see up to 56% recovery of failed docking studies, when waters are included in the docking simulation.

  4. Spacecraft Environmental Interactions Technology, 1983

    Science.gov (United States)

    1985-01-01

    State of the art of environment interactions dealing with low-Earth-orbit plasmas; high-voltage systems; spacecraft charging; materials effects; and direction of future programs are contained in over 50 papers.

  5. Gravity Probe B spacecraft description

    International Nuclear Information System (INIS)

    Bennett, Norman R; Burns, Kevin; Katz, Russell; Kirschenbaum, Jon; Mason, Gary; Shehata, Shawky

    2015-01-01

    The Gravity Probe B spacecraft, developed, integrated, and tested by Lockheed Missiles and Space Company and later Lockheed Martin Corporation, consisted of structures, mechanisms, command and data handling, attitude and translation control, electrical power, thermal control, flight software, and communications. When integrated with the payload elements, the integrated system became the space vehicle. Key requirements shaping the design of the spacecraft were: (1) the tight mission timeline (17 months, 9 days of on-orbit operation), (2) precise attitude and translational control, (3) thermal protection of science hardware, (4) minimizing aerodynamic, magnetic, and eddy current effects, and (5) the need to provide a robust, low risk spacecraft. The spacecraft met all mission requirements, as demonstrated by dewar lifetime meeting specification, positive power and thermal margins, precision attitude control and drag-free performance, reliable communications, and the collection of more than 97% of the available science data. (paper)

  6. Intelligent spacecraft module

    Science.gov (United States)

    Oungrinis, Konstantinos-Alketas; Liapi, Marianthi; Kelesidi, Anna; Gargalis, Leonidas; Telo, Marinela; Ntzoufras, Sotiris; Paschidi, Mariana

    2014-12-01

    The paper presents the development of an on-going research project that focuses on a human-centered design approach to habitable spacecraft modules. It focuses on the technical requirements and proposes approaches on how to achieve a spatial arrangement of the interior that addresses sufficiently the functional, physiological and psychosocial needs of the people living and working in such confined spaces that entail long-term environmental threats to human health and performance. Since the research perspective examines the issue from a qualitative point of view, it is based on establishing specific relationships between the built environment and its users, targeting people's bodily and psychological comfort as a measure toward a successful mission. This research has two basic branches, one examining the context of the system's operation and behavior and the other in the direction of identifying, experimenting and formulating the environment that successfully performs according to the desired context. The latter aspect is researched upon the construction of a scaled-model on which we run series of tests to identify the materiality, the geometry and the electronic infrastructure required. Guided by the principles of sensponsive architecture, the ISM research project explores the application of the necessary spatial arrangement and behavior for a user-centered, functional interior where the appropriate intelligent systems are based upon the existing mechanical and chemical support ones featured on space today, and especially on the ISS. The problem is set according to the characteristics presented at the Mars500 project, regarding the living quarters of six crew-members, along with their hygiene, leisure and eating areas. Transformable design techniques introduce spatial economy, adjustable zoning and increased efficiency within the interior, securing at the same time precise spatial orientation and character at any given time. The sensponsive configuration is

  7. Development and experimentation of LQR/APF guidance and control for autonomous proximity maneuvers of multiple spacecraft

    Science.gov (United States)

    Bevilacqua, R.; Lehmann, T.; Romano, M.

    2011-04-01

    This work introduces a novel control algorithm for close proximity multiple spacecraft autonomous maneuvers, based on hybrid linear quadratic regulator/artificial potential function (LQR/APF), for applications including autonomous docking, on-orbit assembly and spacecraft servicing. Both theoretical developments and experimental validation of the proposed approach are presented. Fuel consumption is sub-optimized in real-time through re-computation of the LQR at each sample time, while performing collision avoidance through the APF and a high level decisional logic. The underlying LQR/APF controller is integrated with a customized wall-following technique and a decisional logic, overcoming problems such as local minima. The algorithm is experimentally tested on a four spacecraft simulators test bed at the Spacecraft Robotics Laboratory of the Naval Postgraduate School. The metrics to evaluate the control algorithm are: autonomy of the system in making decisions, successful completion of the maneuver, required time, and propellant consumption.

  8. Artist concept of Galileo spacecraft

    Science.gov (United States)

    1988-01-01

    Galileo spacecraft is illustrated in artist concept. Gallileo, named for the Italian astronomer, physicist and mathematician who is credited with construction of the first complete, practical telescope in 1620, will make detailed studies of Jupiter. A cooperative program with the Federal Republic of Germany the Galileo mission will amplify information acquired by two Voyager spacecraft in their brief flybys. Galileo is a two-element system that includes a Jupiter-orbiting observatory and an entry probe. Jet Propulsion Laboratory (JPL) is Galileo project manager and builder of the main spacecraft. Ames Research Center (ARC) has responsibility for the entry probe, which was built by Hughes Aircraft Company and General Electric. Galileo will be deployed from the payload bay (PLB) of Atlantis, Orbiter Vehicle (OV) 104, during mission STS-34.

  9. Seismic vulnerability assessment of an Italian historical masonry dry dock

    OpenAIRE

    Marco Zucca; Pietro Giuseppe Crespi; Nicola Longarini

    2017-01-01

    The paper presents the seismic vulnerability analysis of the military dry dock built in 1861 inside the Messina’s harbor. The study appears very important not only for the relevance of the dry dock itself, but also for its social, military and symbolic role. As a first step, the historical documentation about the dry dock delivered by the Military Technical Office, in charge of its maintenance, was thoroughly examined. This activity was fundamental to understand the construction methods, the ...

  10. Linear Actuator System for the NASA Docking System

    Science.gov (United States)

    Dick, Brandon N.; Oesch, Christopher; Rupp, Timothy W.

    2017-01-01

    The Linear Actuator System (LAS) is a major sub-system within the NASA Docking System (NDS). The NDS Block 1 will be used on the Boeing Crew Space Transportation (CST-100) system to achieve docking with the International Space Station. Critical functions in the Soft Capture aspect of docking are performed by the LAS. This paper describes the general function of the LAS, the system's key requirements and technical challenges, and the development and qualification approach for the system.

  11. Training for spacecraft technical analysts

    Science.gov (United States)

    Ayres, Thomas J.; Bryant, Larry

    1989-01-01

    Deep space missions such as Voyager rely upon a large team of expert analysts who monitor activity in the various engineering subsystems of the spacecraft and plan operations. Senior teammembers generally come from the spacecraft designers, and new analysts receive on-the-job training. Neither of these methods will suffice for the creation of a new team in the middle of a mission, which may be the situation during the Magellan mission. New approaches are recommended, including electronic documentation, explicit cognitive modeling, and coached practice with archived data.

  12. Results from active spacecraft potential control on the Geotail spacecraft

    International Nuclear Information System (INIS)

    Schmidt, R.; Arends, H.; Pedersen, A.

    1995-01-01

    A low and actively controlled electrostatic potential on the outer surfaces of a scientific spacecraft is very important for accurate measurements of cold plasma electrons and ions and the DC to low-frequency electric field. The Japanese/NASA Geotail spacecraft carriers as part of its scientific payload a novel ion emitter for active control of the electrostatic potential on the surface of the spacecraft. The aim of the ion emitter is to reduce the positive surface potential which is normally encountered in the outer magnetosphere when the spacecraft is sunlit. Ion emission clamps the surface potential to near the ambient plasma potential. Without emission control, Geotail has encountered plasma conditions in the lobes of the magnetotail which resulted in surface potentials of up to about +70 V. The ion emitter proves to be able to discharge the outer surfaces of the spacecraft and is capable of keeping the surface potential stable at about +2 V. This potential is measured with respect to one of the electric field probes which are current biased and thus kept at a potential slightly above the ambient plasma potential. The instrument uses the liquid metal field ion emission principle to emit indium ions. The ion beam energy is about 6 keV and the typical total emission current amounts to about 15 μA. Neither variations in the ambient plasma conditions nor operation of two electron emitters on Geotail produce significant variations of the controlled surface potential as long as the resulting electron emission currents remain much smaller than the ion emission current. Typical results of the active potential control are shown, demonstrating the surface potential reduction and its stability over time. 25 refs., 5 figs

  13. Effects of tail docking and docking length on neuroanatomical changes in healed tail tips of pigs

    DEFF Research Database (Denmark)

    Herskin, M S; Thodberg, K; Jensen, Henrik Elvang

    2015-01-01

    % (n=19); or leaving 25% (n=11) of the tail length on the pigs. The piglets were docked between day 2 and 4 after birth using a gas-heated apparatus, and were kept under conventional conditions until slaughter at 22 weeks of age, where tails were removed and examined macroscopically and histologically...

  14. Charging in the environment of large spacecraft

    International Nuclear Information System (INIS)

    Lai, S.T.

    1993-01-01

    This paper discusses some potential problems of spacecraft charging as a result of interactions between a large spacecraft, such as the Space Station, and its environment. Induced electric field, due to VXB effect, may be important for large spacecraft at low earth orbits. Differential charging, due to different properties of surface materials, may be significant when the spacecraft is partly in sunshine and partly in shadow. Triple-root potential jump condition may occur because of differential charging. Sudden onset of severe differential charging may occur when an electron or ion beam is emitted from the spacecraft. The beam may partially return to the ''hot spots'' on the spacecraft. Wake effects, due to blocking of ambient ion trajectories, may result in an undesirable negative potential region in the vicinity of a large spacecraft. Outgassing and exhaust may form a significant spacecraft induced environment; ionization may occur. Spacecraft charging and discharging may affect the electronic components on board

  15. Airborne particulate matter in spacecraft

    Science.gov (United States)

    1988-01-01

    Acceptability limits and sampling and monitoring strategies for airborne particles in spacecraft were considered. Based on instances of eye and respiratory tract irritation reported by Shuttle flight crews, the following acceptability limits for airborne particles were recommended: for flights of 1 week or less duration (1 mg/cu m for particles less than 10 microns in aerodynamic diameter (AD) plus 1 mg/cu m for particles 10 to 100 microns in AD); and for flights greater than 1 week and up to 6 months in duration (0.2 mg/cu m for particles less than 10 microns in AD plus 0.2 mg/cu m for particles 10 to 100 microns in AD. These numerical limits were recommended to aid in spacecraft atmosphere design which should aim at particulate levels that are a low as reasonably achievable. Sampling of spacecraft atmospheres for particles should include size-fractionated samples of 0 to 10, 10 to 100, and greater than 100 micron particles for mass concentration measurement and elementary chemical analysis by nondestructive analysis techniques. Morphological and chemical analyses of single particles should also be made to aid in identifying airborne particulate sources. Air cleaning systems based on inertial collection principles and fine particle collection devices based on electrostatic precipitation and filtration should be considered for incorporation into spacecraft air circulation systems. It was also recommended that research be carried out in space in the areas of health effects and particle characterization.

  16. Omni-directional Particle Detector (ODPD) on Tiangong-2 Spacecraft

    Science.gov (United States)

    Guohong, S.; Zhang, S.; Yang, X.; Wang, C.

    2017-12-01

    Tiangong-2 spacecraft is the second space laboratory independently developed by china after Tiangong-1, which was launched on 15 September 2016. It is also the first real space laboratory in china, which will be used to further validate the space rendezvous and docking technology and to carry out a series of space tests. The spacecraft's orbit is 350km height and 42° inclination. The omni-directional particle detector (ODPD) on Tiangong-2 spacecraft is a new instrument developed by China. Its goal is the anisotropy and energy spectra of space particles on manned space flight orbit. The ODPD measures the energy spectra and pitch angle distributions of high energy electrons and protons. It consists of one electron spectrum telescope, one proton spectrum telescope and sixteen directional flux telescopes. The ODPD is designed to measure the protons spectrum from 2.5MeV to 150MeV, electrons spectrum from 0.2MeV to 1.5MeV, the flux of electrons energy >200keV and protons energy>1.5MeV on 2∏ space, also the ODPD has a small sensor to measure the LET spectrum from 1-100MeV/cm2sr. The primary advantage can give the particle's pitch angle distributions at any time because of the sixteen flux telescopes arrange form 0 to 180 degree. This is the first paper dealing with ODPD data, so we firstly spend some time describing the instrument, its theory of operation and its calibration. Then we give the preliminary detecting results.

  17. Multilevel Parallelization of AutoDock 4.2

    Directory of Open Access Journals (Sweden)

    Norgan Andrew P

    2011-04-01

    Full Text Available Abstract Background Virtual (computational screening is an increasingly important tool for drug discovery. AutoDock is a popular open-source application for performing molecular docking, the prediction of ligand-receptor interactions. AutoDock is a serial application, though several previous efforts have parallelized various aspects of the program. In this paper, we report on a multi-level parallelization of AutoDock 4.2 (mpAD4. Results Using MPI and OpenMP, AutoDock 4.2 was parallelized for use on MPI-enabled systems and to multithread the execution of individual docking jobs. In addition, code was implemented to reduce input/output (I/O traffic by reusing grid maps at each node from docking to docking. Performance of mpAD4 was examined on two multiprocessor computers. Conclusions Using MPI with OpenMP multithreading, mpAD4 scales with near linearity on the multiprocessor systems tested. In situations where I/O is limiting, reuse of grid maps reduces both system I/O and overall screening time. Multithreading of AutoDock's Lamarkian Genetic Algorithm with OpenMP increases the speed of execution of individual docking jobs, and when combined with MPI parallelization can significantly reduce the execution time of virtual screens. This work is significant in that mpAD4 speeds the execution of certain molecular docking workloads and allows the user to optimize the degree of system-level (MPI and node-level (OpenMP parallelization to best fit both workloads and computational resources.

  18. Multilevel Parallelization of AutoDock 4.2.

    Science.gov (United States)

    Norgan, Andrew P; Coffman, Paul K; Kocher, Jean-Pierre A; Katzmann, David J; Sosa, Carlos P

    2011-04-28

    Virtual (computational) screening is an increasingly important tool for drug discovery. AutoDock is a popular open-source application for performing molecular docking, the prediction of ligand-receptor interactions. AutoDock is a serial application, though several previous efforts have parallelized various aspects of the program. In this paper, we report on a multi-level parallelization of AutoDock 4.2 (mpAD4). Using MPI and OpenMP, AutoDock 4.2 was parallelized for use on MPI-enabled systems and to multithread the execution of individual docking jobs. In addition, code was implemented to reduce input/output (I/O) traffic by reusing grid maps at each node from docking to docking. Performance of mpAD4 was examined on two multiprocessor computers. Using MPI with OpenMP multithreading, mpAD4 scales with near linearity on the multiprocessor systems tested. In situations where I/O is limiting, reuse of grid maps reduces both system I/O and overall screening time. Multithreading of AutoDock's Lamarkian Genetic Algorithm with OpenMP increases the speed of execution of individual docking jobs, and when combined with MPI parallelization can significantly reduce the execution time of virtual screens. This work is significant in that mpAD4 speeds the execution of certain molecular docking workloads and allows the user to optimize the degree of system-level (MPI) and node-level (OpenMP) parallelization to best fit both workloads and computational resources.

  19. How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases

    DEFF Research Database (Denmark)

    Udatha, D. B. R. K. Gupta; Sugaya, Nobuyoshi; Olsson, Lisbeth

    2012-01-01

    Molecular docking is the most commonly used technique in the modern drug discovery process where computational approaches involving docking algorithms are used to dock small molecules into macromolecular target structures. Over the recent years several evaluation studies have been reported...

  20. Molecular Dynamics and Docking of Biphenyl: A Potential ...

    African Journals Online (AJOL)

    Results: Molecular docking by FireDock web server showed that biPhe-43 and Trp-43-mutated CD4 inhibited the binding of ... In a 5ns MD simulation, biPhe-43 and Trp-43 mutated CD4 .... 'unbound' MD on UMHPC Linux Cluster SGIAltix.

  1. Inverse simulation system for evaluating handling qualities during rendezvous and docking

    Science.gov (United States)

    Zhou, Wanmeng; Wang, Hua; Thomson, Douglas; Tang, Guojin; Zhang, Fan

    2017-08-01

    The traditional method used for handling qualities assessment of manned space vehicles is too time-consuming to meet the requirements of an increasingly fast design process. In this study, a rendezvous and docking inverse simulation system to assess the handling qualities of spacecraft is proposed using a previously developed model-predictive-control architecture. By considering the fixed discrete force of the thrusters of the system, the inverse model is constructed using the least squares estimation method with a hyper-ellipsoidal restriction, the continuous control outputs of which are subsequently dispersed by pulse width modulation with sensitivity factors introduced. The inputs in every step are deemed constant parameters, and the method could be considered as a general method for solving nominal, redundant, and insufficient inverse problems. The rendezvous and docking inverse simulation is applied to a nine-degrees-of-freedom platform, and a novel handling qualities evaluation scheme is established according to the operation precision and astronauts' workload. Finally, different nominal trajectories are scored by the inverse simulation and an established evaluation scheme. The scores can offer theoretical guidance for astronaut training and more complex operation missions.

  2. Quick Spacecraft Thermal Analysis Tool, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — For spacecraft design and development teams concerned with cost and schedule, the Quick Spacecraft Thermal Analysis Tool (QuickSTAT) is an innovative software suite...

  3. Multiple spacecraft Michelson stellar interferometer

    Science.gov (United States)

    Stachnik, R. V.; Arnold, D.; Melroy, P.; Mccormack, E. F.; Gezari, D. Y.

    1984-01-01

    Results of an orbital analysis and performance assessment of SAMSI (Spacecraft Array for Michelson Spatial Interferometry) are presented. The device considered includes two one-meter telescopes in orbits which are identical except for slightly different inclinations; the telescopes achieve separations as large as 10 km and relay starlight to a central station which has a one-meter optical delay line in one interferometer arm. It is shown that a 1000-km altitude, zero mean inclination orbit affords natural scanning of the 10-km baseline with departures from optical pathlength equality which are well within the corrective capacity of the optical delay line. Electric propulsion is completely adequate to provide the required spacecraft motions, principally those needed for repointing. Resolution of 0.00001 arcsec and magnitude limits of 15 to 20 are achievable.

  4. Spacecraft Tests of General Relativity

    Science.gov (United States)

    Anderson, John D.

    1997-01-01

    Current spacecraft tests of general relativity depend on coherent radio tracking referred to atomic frequency standards at the ground stations. This paper addresses the possibility of improved tests using essentially the current system, but with the added possibility of a space-borne atomic clock. Outside of the obvious measurement of the gravitational frequency shift of the spacecraft clock, a successor to the suborbital flight of a Scout D rocket in 1976 (GP-A Project), other metric tests would benefit most directly by a possible improved sensitivity for the reduced coherent data. For purposes of illustration, two possible missions are discussed. The first is a highly eccentric Earth orbiter, and the second a solar-conjunction experiment to measure the Shapiro time delay using coherent Doppler data instead of the conventional ranging modulation.

  5. Attitude Fusion Techniques for Spacecraft

    DEFF Research Database (Denmark)

    Bjarnø, Jonas Bækby

    Spacecraft platform instability constitutes one of the most significant limiting factors in hyperacuity pointing and tracking applications, yet the demand for accurate, timely and reliable attitude information is ever increasing. The PhD research project described within this dissertation has...... served to investigate the solution space for augmenting the DTU μASC stellar reference sensor with a miniature Inertial Reference Unit (IRU), thereby obtaining improved bandwidth, accuracy and overall operational robustness of the fused instrument. Present day attitude determination requirements are met...... of the instrument, and affecting operations during agile and complex spacecraft attitude maneuvers. As such, there exists a theoretical foundation for augmenting the high frequency performance of the μASC instrument, by harnessing the complementary nature of optical stellar reference and inertial sensor technology...

  6. Nonlinearity-induced spacecraft tumbling

    International Nuclear Information System (INIS)

    Amos, A.K.

    1994-01-01

    An existing tumbling criterion for the dumbbell satellite in planar librations is reexamined and modified to reflect a recently identified tumbling mode associated with the horizontal attitude orientation. It is shown that for any initial attitude there exists a critical angular rate below which the motion is oscillatory and harmonic and beyond which a continuous tumbling will ensue. If the angular rate is at the critical value the spacecraft drifts towards the horizontal attitude from which a spontaneous periodic tumbling occurs

  7. Worldwide Spacecraft Crew Hatch History

    Science.gov (United States)

    Johnson, Gary

    2009-01-01

    The JSC Flight Safety Office has developed this compilation of historical information on spacecraft crew hatches to assist the Safety Tech Authority in the evaluation and analysis of worldwide spacecraft crew hatch design and performance. The document is prepared by SAIC s Gary Johnson, former NASA JSC S&MA Associate Director for Technical. Mr. Johnson s previous experience brings expert knowledge to assess the relevancy of data presented. He has experience with six (6) of the NASA spacecraft programs that are covered in this document: Apollo; Skylab; Apollo Soyuz Test Project (ASTP), Space Shuttle, ISS and the Shuttle/Mir Program. Mr. Johnson is also intimately familiar with the JSC Design and Procedures Standard, JPR 8080.5, having been one of its original developers. The observations and findings are presented first by country and organized within each country section by program in chronological order of emergence. A host of reference sources used to augment the personal observations and comments of the author are named within the text and/or listed in the reference section of this document. Careful attention to the selection and inclusion of photos, drawings and diagrams is used to give visual association and clarity to the topic areas examined.

  8. Integrating standard operating procedures with spacecraft automation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Spacecraft automation has the potential to assist crew members and spacecraft operators in managing spacecraft systems during extended space missions. Automation can...

  9. Spacecraft Jitter Attenuation Using Embedded Piezoelectric Actuators

    Science.gov (United States)

    Belvin, W. Keith

    1995-01-01

    Remote sensing from spacecraft requires precise pointing of measurement devices in order to achieve adequate spatial resolution. Unfortunately, various spacecraft disturbances induce vibrational jitter in the remote sensing instruments. The NASA Langley Research Center has performed analysis, simulations, and ground tests to identify the more promising technologies for minimizing spacecraft pointing jitter. These studies have shown that the use of smart materials to reduce spacecraft jitter is an excellent match between a maturing technology and an operational need. This paper describes the use of embedding piezoelectric actuators for vibration control and payload isolation. In addition, recent advances in modeling, simulation, and testing of spacecraft pointing jitter are discussed.

  10. Dynamic Docking: A Paradigm Shift in Computational Drug Discovery

    Directory of Open Access Journals (Sweden)

    Dario Gioia

    2017-11-01

    Full Text Available Molecular docking is the methodology of choice for studying in silico protein-ligand binding and for prioritizing compounds to discover new lead candidates. Traditional docking simulations suffer from major limitations, mostly related to the static or semi-flexible treatment of ligands and targets. They also neglect solvation and entropic effects, which strongly limits their predictive power. During the last decade, methods based on full atomistic molecular dynamics (MD have emerged as a valid alternative for simulating macromolecular complexes. In principle, compared to traditional docking, MD allows the full exploration of drug-target recognition and binding from both the mechanistic and energetic points of view (dynamic docking. Binding and unbinding kinetic constants can also be determined. While dynamic docking is still too computationally expensive to be routinely used in fast-paced drug discovery programs, the advent of faster computing architectures and advanced simulation methodologies are changing this scenario. It is feasible that dynamic docking will replace static docking approaches in the near future, leading to a major paradigm shift in in silico drug discovery. Against this background, we review the key achievements that have paved the way for this progress.

  11. Molecular docking study of Papaver alkaloids to some alkaloid receptors

    Directory of Open Access Journals (Sweden)

    A. Nofallah

    2017-11-01

    Full Text Available Background and objectives: More than 40 different alkaloids have been obtained from opium the most important of which are morphine, codeine, papaverine, noscapine and tabaine. Opioid alkaloids produce analgesia by affecting areas of the brain that have peptides with pharmacological pseudo-opioid properties. These alkaloids show important effects on some intracellular peptides like mu, delta, and kappa receptors. Therefore, studying the effects of these alkaloids on different receptors is essential. Methods: Molecular docking is a well-known method in exploring the protein-ligand interactions. In this research, five important alkaloids were docked to crystal structure of human mu opioid receptor (4DKL, human delta opioid receptor (4EJ4 and human kappa opioid receptor (4DJH which were retrieved from protein databank. The 3D-structures of alkaloids were drawn by chembiooffice2010 and minimized with hyperchem package and submitted to molecular docking utilizing autodock-vina. Flexibility of the proteins was considered. The docking studies were performed to compare the affinity of these five alkaloids to the mentioned receptors. Results: We computationally docked each alkaloid compound onto each receptor structure and estimated their binding affinity based on dock scores. Dock score is a criteria including binding energy which utilized here for prediction and comparison of the binding affinities. Binding interactions of the docked alkaloids in receptor pockets were also visually inspected and compared. Conclusion: In this approach, using docking study as a computational method provided a valuable insight of opioid receptor pocket structures which would be essential to design more efficient drugs in pain managements and addiction treatments.

  12. Sequence alignment reveals possible MAPK docking motifs on HIV proteins.

    Directory of Open Access Journals (Sweden)

    Perry Evans

    Full Text Available Over the course of HIV infection, virus replication is facilitated by the phosphorylation of HIV proteins by human ERK1 and ERK2 mitogen-activated protein kinases (MAPKs. MAPKs are known to phosphorylate their substrates by first binding with them at a docking site. Docking site interactions could be viable drug targets because the sequences guiding them are more specific than phosphorylation consensus sites. In this study we use multiple bioinformatics tools to discover candidate MAPK docking site motifs on HIV proteins known to be phosphorylated by MAPKs, and we discuss the possibility of targeting docking sites with drugs. Using sequence alignments of HIV proteins of different subtypes, we show that MAPK docking patterns previously described for human proteins appear on the HIV matrix, Tat, and Vif proteins in a strain dependent manner, but are absent from HIV Rev and appear on all HIV Nef strains. We revise the regular expressions of previously annotated MAPK docking patterns in order to provide a subtype independent motif that annotates all HIV proteins. One revision is based on a documented human variant of one of the substrate docking motifs, and the other reduces the number of required basic amino acids in the standard docking motifs from two to one. The proposed patterns are shown to be consistent with in silico docking between ERK1 and the HIV matrix protein. The motif usage on HIV proteins is sufficiently different from human proteins in amino acid sequence similarity to allow for HIV specific targeting using small-molecule drugs.

  13. Spacecraft Design Thermal Control Subsystem

    Science.gov (United States)

    Miyake, Robert N.

    2008-01-01

    The Thermal Control Subsystem engineers task is to maintain the temperature of all spacecraft components, subsystems, and the total flight system within specified limits for all flight modes from launch to end-of-mission. In some cases, specific stability and gradient temperature limits will be imposed on flight system elements. The Thermal Control Subsystem of "normal" flight systems, the mass, power, control, and sensing systems mass and power requirements are below 10% of the total flight system resources. In general the thermal control subsystem engineer is involved in all other flight subsystem designs.

  14. Benefits of Spacecraft Level Vibration Testing

    Science.gov (United States)

    Gordon, Scott; Kern, Dennis L.

    2015-01-01

    NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

  15. Hybrid spacecraft attitude control system

    Directory of Open Access Journals (Sweden)

    Renuganth Varatharajoo

    2016-02-01

    Full Text Available The hybrid subsystem design could be an attractive approach for futurespacecraft to cope with their demands. The idea of combining theconventional Attitude Control System and the Electrical Power System ispresented in this article. The Combined Energy and Attitude ControlSystem (CEACS consisting of a double counter rotating flywheel assemblyis investigated for small satellites in this article. Another hybrid systemincorporating the conventional Attitude Control System into the ThermalControl System forming the Combined Attitude and Thermal ControlSystem (CATCS consisting of a "fluid wheel" and permanent magnets isalso investigated for small satellites herein. The governing equationsdescribing both these novel hybrid subsystems are presented and theironboard architectures are numerically tested. Both the investigated novelhybrid spacecraft subsystems comply with the reference missionrequirements.The hybrid subsystem design could be an attractive approach for futurespacecraft to cope with their demands. The idea of combining theconventional Attitude Control System and the Electrical Power System ispresented in this article. The Combined Energy and Attitude ControlSystem (CEACS consisting of a double counter rotating flywheel assemblyis investigated for small satellites in this article. Another hybrid systemincorporating the conventional Attitude Control System into the ThermalControl System forming the Combined Attitude and Thermal ControlSystem (CATCS consisting of a "fluid wheel" and permanent magnets isalso investigated for small satellites herein. The governing equationsdescribing both these novel hybrid subsystems are presented and theironboard architectures are numerically tested. Both the investigated novelhybrid spacecraft subsystems comply with the reference missionrequirements.

  16. Synthesis and molecular docking of pyrimidine incorporated novel ...

    Indian Academy of Sciences (India)

    APOORVA MISRA

    2018-03-09

    Mar 9, 2018 ... aDepartment of Chemistry, Banasthali Vidyapith, Banasthali, Rajasthan 304 022, India ... serotonin 5-HT6 receptor antagonist,22 hepatitis-A virus ..... Molecular docking structure and ligand protein binding sites of MTX- (a) ...

  17. Molecular Docking Study on Galantamine Derivatives as Cholinesterase Inhibitors.

    Science.gov (United States)

    Atanasova, Mariyana; Yordanov, Nikola; Dimitrov, Ivan; Berkov, Strahil; Doytchinova, Irini

    2015-06-01

    A training set of 22 synthetic galantamine derivatives binding to acetylcholinesterase was docked by GOLD and the protocol was optimized in terms of scoring function, rigidity/flexibility of the binding site, presence/absence of a water molecule inside and radius of the binding site. A moderate correlation was found between the affinities of compounds expressed as pIC50 values and their docking scores. The optimized docking protocol was validated by an external test set of 11 natural galantamine derivatives and the correlation coefficient between the docking scores and the pIC50 values was 0.800. The derived relationship was used to analyze the interactions between galantamine derivatives and AChE. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Synthesis, docking and anticancer activity studies of D-proline ...

    Indian Academy of Sciences (India)

    D-proline-incorporated wainunuamide — a cyclic octapeptide was synthesized and characterized ... Cyclic octapeptide; molecular docking; solution phase synthesis; anticancer activity ..... dynamics and their binding affinities, using free energy.

  19. Synthesis, in vitro anti-inflammatory activity and molecular docking ...

    Indian Academy of Sciences (India)

    alkyl and heterocyclic alkyl moieties were synthesized, characterized and subsequently evaluated for ... Docking studies with these compounds against cyclooxygenase-2 receptor ...... thiadiazole derivatives as possible anti-tubercular agents.

  20. Molecular docking studies on rocaglamide, a traditional Chinese ...

    African Journals Online (AJOL)

    Keywords: Periodontitis, Inflammation, Rocaglamide, Molecular docking, Lamarckian ... Index Medicus, JournalSeek, Journal Citation Reports/Science Edition, ... chronic, bacterial infection-associated auto- .... The binding pocket in this case.

  1. Exponential Repulsion Improves Structural Predictability of Molecular Docking

    Czech Academy of Sciences Publication Activity Database

    Bazgier, Václav; Berka, K.; Otyepka, M.; Banáš, P.

    2016-01-01

    Roč. 37, č. 28 (2016), s. 2485-2494 ISSN 0192-8651 Institutional support: RVO:61389030 Keywords : cyclin-dependent kinases * structure-based design * scoring functions * cdk2 inhibitors * force-field * ligand interactions * drug discovery * purine * potent * protein-kinase-2 * molecular docking * dock 6.6 * drug design * cyclin-dependent kinase 2 * directory of decoys Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.229, year: 2016

  2. A primer on wood as dock construction material

    Science.gov (United States)

    Stan Lebow

    2007-01-01

    To be a successful marina owner and operator, it’s important to understand all the facets of one’s facility, including the intricacies of one part of the marina that most boaters take for granted: the docks. When it comes to dock construction, marinas have a wide-range of materials to choose from, with one of the most commonly used materials being preservative-treated...

  3. Combination of scoring schemes for protein docking

    Directory of Open Access Journals (Sweden)

    Schomburg Dietmar

    2007-08-01

    Full Text Available Abstract Background Docking algorithms are developed to predict in which orientation two proteins are likely to bind under natural conditions. The currently used methods usually consist of a sampling step followed by a scoring step. We developed a weighted geometric correlation based on optimised atom specific weighting factors and combined them with our previously published amino acid specific scoring and with a comprehensive SVM-based scoring function. Results The scoring with the atom specific weighting factors yields better results than the amino acid specific scoring. In combination with SVM-based scoring functions the percentage of complexes for which a near native structure can be predicted within the top 100 ranks increased from 14% with the geometric scoring to 54% with the combination of all scoring functions. Especially for the enzyme-inhibitor complexes the results of the ranking are excellent. For half of these complexes a near-native structure can be predicted within the first 10 proposed structures and for more than 86% of all enzyme-inhibitor complexes within the first 50 predicted structures. Conclusion We were able to develop a combination of different scoring schemes which considers a series of previously described and some new scoring criteria yielding a remarkable improvement of prediction quality.

  4. Estimating Torque Imparted on Spacecraft Using Telemetry

    Science.gov (United States)

    Lee, Allan Y.; Wang, Eric K.; Macala, Glenn A.

    2013-01-01

    There have been a number of missions with spacecraft flying by planetary moons with atmospheres; there will be future missions with similar flybys. When a spacecraft such as Cassini flies by a moon with an atmosphere, the spacecraft will experience an atmospheric torque. This torque could be used to determine the density of the atmosphere. This is because the relation between the atmospheric torque vector and the atmosphere density could be established analytically using the mass properties of the spacecraft, known drag coefficient of objects in free-molecular flow, and the spacecraft velocity relative to the moon. The density estimated in this way could be used to check results measured by science instruments. Since the proposed methodology could estimate disturbance torque as small as 0.02 N-m, it could also be used to estimate disturbance torque imparted on the spacecraft during high-altitude flybys.

  5. Computer simulation of spacecraft/environment interaction

    International Nuclear Information System (INIS)

    Krupnikov, K.K.; Makletsov, A.A.; Mileev, V.N.; Novikov, L.S.; Sinolits, V.V.

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language

  6. Computer simulation of spacecraft/environment interaction

    CERN Document Server

    Krupnikov, K K; Mileev, V N; Novikov, L S; Sinolits, V V

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language.

  7. Reactive Path Planning Approach for Docking Robots in Unknown Environment

    Directory of Open Access Journals (Sweden)

    Peng Cui

    2017-01-01

    Full Text Available Autonomous robots need to be recharged and exchange information with the host through docking in the long-distance tasks. Therefore, feasible path is required in the docking process to guide the robot and adjust its pose. However, when there are unknown obstacles in the work area, it becomes difficult to determine the feasible path for docking. This paper presents a reactive path planning approach named Dubins-APF (DAPF to solve the path planning problem for docking in unknown environment with obstacles. In this proposed approach the Dubins curves are combined with the designed obstacle avoidance potential field to plan the feasible path. Firstly, an initial path is planned and followed according to the configurations of the robot and the docking station. Then when the followed path is evaluated to be infeasible, the intermediate configuration is calculated as well as the replanned path based on the obstacle avoidance potential field. The robot will be navigated to the docking station with proper pose eventually via the DAPF approach. The proposed DAPF approach is efficient and does not require the prior knowledge about the environment. Simulation results are given to validate the effectiveness and feasibility of the proposed approach.

  8. Optimal Autonomous Spacecraft Resiliency Maneuvers Using Metaheuristics

    Science.gov (United States)

    2014-09-15

    This work was accepted for published by the American Institute of Aeronautics and Astronautics (AIAA) Journal of Spacecraft and Rockets in July 2014...publication in the AIAA Journal of Spacecraft and Rockets . Chapter 5 introduces an impulsive maneuvering strategy to deliver a spacecraft to its final...upon arrival r2 and v2 , respectively. The variable T2 determines the time of flight needed to make the maneuver, and the variable θ2 determines the

  9. Ulysses spacecraft control and monitoring system

    Science.gov (United States)

    Hamer, P. A.; Snowden, P. J.

    1991-01-01

    The baseline Ulysses spacecraft control and monitoring system (SCMS) concepts and the converted SCMS, residing on a DEC/VAX 8350 hardware, are considered. The main functions of the system include monitoring and displaying spacecraft telemetry, preparing spacecraft commands, producing hard copies of experimental data, and archiving spacecraft telemetry. The SCMS system comprises over 20 subsystems ranging from low-level utility routines to the major monitoring and control software. These in total consist of approximately 55,000 lines of FORTRAN source code and 100 VMS command files. The SCMS major software facilities are described, including database files, telemetry processing, telecommanding, archiving of data, and display of telemetry.

  10. Operationally Responsive Spacecraft Subsystem, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Saber Astronautics proposes spacecraft subsystem control software which can autonomously reconfigure avionics for best performance during various mission conditions....

  11. The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures

    Directory of Open Access Journals (Sweden)

    Alejandro Castro-Alvarez

    2017-01-01

    Full Text Available The accuracy of five docking programs at reproducing crystallographic structures of complexes of 8 macrolides and 12 related macrocyclic structures, all with their corresponding receptors, was evaluated. Self-docking calculations indicated excellent performance in all cases (mean RMSD values ≤ 1.0 and confirmed the speed of AutoDock Vina. Afterwards, the lowest-energy conformer of each molecule and all the conformers lying 0–10 kcal/mol above it (as given by Macrocycle, from MacroModel 10.0 were subjected to standard docking calculations. While each docking method has its own merits, the observed speed of the programs was as follows: Glide 6.6 > AutoDock Vina 1.1.2 > DOCK 6.5 >> AutoDock 4.2.6 > AutoDock 3.0.5. For most of the complexes, the five methods predicted quite correct poses of ligands at the binding sites, but the lower RMSD values for the poses of highest affinity were in the order: Glide 6.6 ≈ AutoDock Vina ≈ DOCK 6.5 > AutoDock 4.2.6 >> AutoDock 3.0.5. By choosing the poses closest to the crystal structure the order was: AutoDock Vina > Glide 6.6 ≈ DOCK 6.5 ≥ AutoDock 4.2.6 >> AutoDock 3.0.5. Re-scoring (AutoDock 4.2.6//AutoDock Vina, Amber Score and MM-GBSA improved the agreement between the calculated and experimental data. For all intents and purposes, these three methods are equally reliable.

  12. ARCADE small-scale docking mechanism for micro-satellites

    Science.gov (United States)

    Boesso, A.; Francesconi, A.

    2013-05-01

    The development of on-orbit autonomous rendezvous and docking (ARD) capabilities represents a key point for a number of appealing mission scenarios that include activities of on-orbit servicing, automated assembly of modular structures and active debris removal. As of today, especially in the field of micro-satellites ARD, many fundamental technologies are still missing or require further developments and micro-gravity testing. In this framework, the University of Padova, Centre of Studies and Activities for Space (CISAS), developed the Autonomous Rendezvous Control and Docking Experiment (ARCADE), a technology demonstrator intended to fly aboard a BEXUS stratospheric balloon. The goal was to design, build and test, in critical environment conditions, a proximity relative navigation system, a custom-made reaction wheel and a small-size docking mechanism. The ARCADE docking mechanism was designed against a comprehensive set of requirements and it can be classified as small-scale, central, gender mating and unpressurized. The large use of commercial components makes it low-cost and simple to be manufactured. Last, it features a good tolerance to off-nominal docking conditions and a by-design soft docking capability. The final design was extensively verified to be compliant with its requirements by means of numerical simulations and physical testing. In detail, the dynamic behaviour of the mechanism in both nominal and off-nominal conditions was assessed with the multibody dynamics analysis software MD ADAMS 2010 and functional tests were carried out within the fully integrated ARCADE experiment to ensure the docking system efficacy and to highlight possible issues. The most relevant results of the study will be presented and discussed in conclusion to this paper.

  13. Protein-protein docking with dynamic residue protonation states.

    Directory of Open Access Journals (Sweden)

    Krishna Praneeth Kilambi

    2014-12-01

    Full Text Available Protein-protein interactions depend on a host of environmental factors. Local pH conditions influence the interactions through the protonation states of the ionizable residues that can change upon binding. In this work, we present a pH-sensitive docking approach, pHDock, that can sample side-chain protonation states of five ionizable residues (Asp, Glu, His, Tyr, Lys on-the-fly during the docking simulation. pHDock produces successful local docking funnels in approximately half (79/161 the protein complexes, including 19 cases where standard RosettaDock fails. pHDock also performs better than the two control cases comprising docking at pH 7.0 or using fixed, predetermined protonation states. On average, the top-ranked pHDock structures have lower interface RMSDs and recover more native interface residue-residue contacts and hydrogen bonds compared to RosettaDock. Addition of backbone flexibility using a computationally-generated conformational ensemble further improves native contact and hydrogen bond recovery in the top-ranked structures. Although pHDock is designed to improve docking, it also successfully predicts a large pH-dependent binding affinity change in the Fc-FcRn complex, suggesting that it can be exploited to improve affinity predictions. The approaches in the study contribute to the goal of structural simulations of whole-cell protein-protein interactions including all the environmental factors, and they can be further expanded for pH-sensitive protein design.

  14. Improving Docking Performance Using Negative Image-Based Rescoring.

    Science.gov (United States)

    Kurkinen, Sami T; Niinivehmas, Sanna; Ahinko, Mira; Lätti, Sakari; Pentikäinen, Olli T; Postila, Pekka A

    2018-01-01

    Despite the large computational costs of molecular docking, the default scoring functions are often unable to recognize the active hits from the inactive molecules in large-scale virtual screening experiments. Thus, even though a correct binding pose might be sampled during the docking, the active compound or its biologically relevant pose is not necessarily given high enough score to arouse the attention. Various rescoring and post-processing approaches have emerged for improving the docking performance. Here, it is shown that the very early enrichment (number of actives scored higher than 1% of the highest ranked decoys) can be improved on average 2.5-fold or even 8.7-fold by comparing the docking-based ligand conformers directly against the target protein's cavity shape and electrostatics. The similarity comparison of the conformers is performed without geometry optimization against the negative image of the target protein's ligand-binding cavity using the negative image-based (NIB) screening protocol. The viability of the NIB rescoring or the R-NiB, pioneered in this study, was tested with 11 target proteins using benchmark libraries. By focusing on the shape/electrostatics complementarity of the ligand-receptor association, the R-NiB is able to improve the early enrichment of docking essentially without adding to the computing cost. By implementing consensus scoring, in which the R-NiB and the original docking scoring are weighted for optimal outcome, the early enrichment is improved to a level that facilitates effective drug discovery. Moreover, the use of equal weight from the original docking scoring and the R-NiB scoring improves the yield in most cases.

  15. TTEthernet for Integrated Spacecraft Networks

    Science.gov (United States)

    Loveless, Andrew

    2015-01-01

    Aerospace projects have traditionally employed federated avionics architectures, in which each computer system is designed to perform one specific function (e.g. navigation). There are obvious downsides to this approach, including excessive weight (from so much computing hardware), and inefficient processor utilization (since modern processors are capable of performing multiple tasks). There has therefore been a push for integrated modular avionics (IMA), in which common computing platforms can be leveraged for different purposes. This consolidation of multiple vehicle functions to shared computing platforms can significantly reduce spacecraft cost, weight, and design complexity. However, the application of IMA principles introduces significant challenges, as the data network must accommodate traffic of mixed criticality and performance levels - potentially all related to the same shared computer hardware. Because individual network technologies are rarely so competent, the development of truly integrated network architectures often proves unreasonable. Several different types of networks are utilized - each suited to support a specific vehicle function. Critical functions are typically driven by precise timing loops, requiring networks with strict guarantees regarding message latency (i.e. determinism) and fault-tolerance. Alternatively, non-critical systems generally employ data networks prioritizing flexibility and high performance over reliable operation. Switched Ethernet has seen widespread success filling this role in terrestrial applications. Its high speed, flexibility, and the availability of inexpensive commercial off-the-shelf (COTS) components make it desirable for inclusion in spacecraft platforms. Basic Ethernet configurations have been incorporated into several preexisting aerospace projects, including both the Space Shuttle and International Space Station (ISS). However, classical switched Ethernet cannot provide the high level of network

  16. Spacecraft command and control using expert systems

    Science.gov (United States)

    Norcross, Scott; Grieser, William H.

    1994-01-01

    This paper describes a product called the Intelligent Mission Toolkit (IMT), which was created to meet the changing demands of the spacecraft command and control market. IMT is a command and control system built upon an expert system. Its primary functions are to send commands to the spacecraft and process telemetry data received from the spacecraft. It also controls the ground equipment used to support the system, such as encryption gear, and telemetry front-end equipment. Add-on modules allow IMT to control antennas and antenna interface equipment. The design philosophy for IMT is to utilize available commercial products wherever possible. IMT utilizes Gensym's G2 Real-time Expert System as the core of the system. G2 is responsible for overall system control, spacecraft commanding control, and spacecraft telemetry analysis and display. Other commercial products incorporated into IMT include the SYBASE relational database management system and Loral Test and Integration Systems' System 500 for telemetry front-end processing.

  17. Towards a standardized grasping and refuelling on-orbit servicing for geo spacecraft

    Science.gov (United States)

    Medina, Alberto; Tomassini, Angelo; Suatoni, Matteo; Avilés, Marcos; Solway, Nick; Coxhill, Ian; Paraskevas, Iosif S.; Rekleitis, Georgios; Papadopoulos, Evangelos; Krenn, Rainer; Brito, André; Sabbatinelli, Beatrice; Wollenhaupt, Birk; Vidal, Christian; Aziz, Sarmad; Visentin, Gianfranco

    2017-05-01

    Exploitation of space must benefit from the latest advances in robotics. On-orbit servicing is a clear candidate for the application of autonomous rendezvous and docking mechanisms. However, during the last three decades most of the trials took place combining extravehicular activities (EVAs) with telemanipulated robotic arms. The European Space Agency (ESA) considers that grasping and refuelling are promising near-mid-term capabilities that could be performed by servicing spacecraft. Minimal add-ons on spacecraft to enhance their serviceability may protect them for a changing future in which satellite servicing may become mainstream. ESA aims to conceive and promote standard refuelling provisions that can be installed in present and future European commercial geostationary orbit (GEO) satellite platforms and scientific spacecraft. For this purpose ESA has started the ASSIST activity addressing the analysis, design and validation of internal provisions (such as modifications to fuel, gas, electrical and data architecture to allow servicing) and external provisions (such as integrated berthing fixtures with peripheral electrical, gas, liquid connectors, leak check systems and corresponding optical and radio markers for cooperative rendezvous and docking). This refuelling approach is being agreed with European industry (OHB, Thales Alenia Space) and expected to be consolidated with European commercial operators as a first step to become an international standard; this approach is also being considered for on-orbit servicing spacecraft, such as the SpaceTug, by Airbus DS. This paper describes in detail the operational means, structure, geometry and accommodation of the system. Internal and external provisions will be designed with the minimum possible impact on the current architecture of GEO satellites without introducing additional risks in the development and commissioning of the satellite. End-effector and berthing fixtures are being designed in the range of few

  18. Arbitrary protein−protein docking targets biologically relevant interfaces

    Directory of Open Access Journals (Sweden)

    Martin Juliette

    2012-05-01

    Full Text Available Abstract Background Protein-protein recognition is of fundamental importance in the vast majority of biological processes. However, it has already been demonstrated that it is very hard to distinguish true complexes from false complexes in so-called cross-docking experiments, where binary protein complexes are separated and the isolated proteins are all docked against each other and scored. Does this result, at least in part, reflect a physical reality? False complexes could reflect possible nonspecific or weak associations. Results In this paper, we investigate the twilight zone of protein-protein interactions, building on an interesting outcome of cross-docking experiments: false complexes seem to favor residues from the true interaction site, suggesting that randomly chosen partners dock in a non-random fashion on protein surfaces. Here, we carry out arbitrary docking of a non-redundant data set of 198 proteins, with more than 300 randomly chosen "probe" proteins. We investigate the tendency of arbitrary partners to aggregate at localized regions of the protein surfaces, the shape and compositional bias of the generated interfaces, and the potential of this property to predict biologically relevant binding sites. We show that the non-random localization of arbitrary partners after protein-protein docking is a generic feature of protein structures. The interfaces generated in this way are not systematically planar or curved, but tend to be closer than average to the center of the proteins. These results can be used to predict biological interfaces with an AUC value up to 0.69 alone, and 0.72 when used in combination with evolutionary information. An appropriate choice of random partners and number of docking models make this method computationally practical. It is also noted that nonspecific interfaces can point to alternate interaction sites in the case of proteins with multiple interfaces. We illustrate the usefulness of arbitrary docking

  19. Arbitrary protein−protein docking targets biologically relevant interfaces

    International Nuclear Information System (INIS)

    Martin, Juliette; Lavery, Richard

    2012-01-01

    Protein-protein recognition is of fundamental importance in the vast majority of biological processes. However, it has already been demonstrated that it is very hard to distinguish true complexes from false complexes in so-called cross-docking experiments, where binary protein complexes are separated and the isolated proteins are all docked against each other and scored. Does this result, at least in part, reflect a physical reality? False complexes could reflect possible nonspecific or weak associations. In this paper, we investigate the twilight zone of protein-protein interactions, building on an interesting outcome of cross-docking experiments: false complexes seem to favor residues from the true interaction site, suggesting that randomly chosen partners dock in a non-random fashion on protein surfaces. Here, we carry out arbitrary docking of a non-redundant data set of 198 proteins, with more than 300 randomly chosen "probe" proteins. We investigate the tendency of arbitrary partners to aggregate at localized regions of the protein surfaces, the shape and compositional bias of the generated interfaces, and the potential of this property to predict biologically relevant binding sites. We show that the non-random localization of arbitrary partners after protein-protein docking is a generic feature of protein structures. The interfaces generated in this way are not systematically planar or curved, but tend to be closer than average to the center of the proteins. These results can be used to predict biological interfaces with an AUC value up to 0.69 alone, and 0.72 when used in combination with evolutionary information. An appropriate choice of random partners and number of docking models make this method computationally practical. It is also noted that nonspecific interfaces can point to alternate interaction sites in the case of proteins with multiple interfaces. We illustrate the usefulness of arbitrary docking using PEBP (Phosphatidylethanolamine binding

  20. New generation of docking programs: Supercomputer validation of force fields and quantum-chemical methods for docking.

    Science.gov (United States)

    Sulimov, Alexey V; Kutov, Danil C; Katkova, Ekaterina V; Ilin, Ivan S; Sulimov, Vladimir B

    2017-11-01

    Discovery of new inhibitors of the protein associated with a given disease is the initial and most important stage of the whole process of the rational development of new pharmaceutical substances. New inhibitors block the active site of the target protein and the disease is cured. Computer-aided molecular modeling can considerably increase effectiveness of new inhibitors development. Reliable predictions of the target protein inhibition by a small molecule, ligand, is defined by the accuracy of docking programs. Such programs position a ligand in the target protein and estimate the protein-ligand binding energy. Positioning accuracy of modern docking programs is satisfactory. However, the accuracy of binding energy calculations is too low to predict good inhibitors. For effective application of docking programs to new inhibitors development the accuracy of binding energy calculations should be higher than 1kcal/mol. Reasons of limited accuracy of modern docking programs are discussed. One of the most important aspects limiting this accuracy is imperfection of protein-ligand energy calculations. Results of supercomputer validation of several force fields and quantum-chemical methods for docking are presented. The validation was performed by quasi-docking as follows. First, the low energy minima spectra of 16 protein-ligand complexes were found by exhaustive minima search in the MMFF94 force field. Second, energies of the lowest 8192 minima are recalculated with CHARMM force field and PM6-D3H4X and PM7 quantum-chemical methods for each complex. The analysis of minima energies reveals the docking positioning accuracies of the PM7 and PM6-D3H4X quantum-chemical methods and the CHARMM force field are close to one another and they are better than the positioning accuracy of the MMFF94 force field. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. GOMoDo: A GPCRs online modeling and docking webserver.

    Directory of Open Access Journals (Sweden)

    Massimo Sandal

    Full Text Available G-protein coupled receptors (GPCRs are a superfamily of cell signaling membrane proteins that include >750 members in the human genome alone. They are the largest family of drug targets. The vast diversity and relevance of GPCRs contrasts with the paucity of structures available: only 21 unique GPCR structures have been experimentally determined as of the beginning of 2013. User-friendly modeling and small molecule docking tools are thus in great demand. While both GPCR structural predictions and docking servers exist separately, with GOMoDo (GPCR Online Modeling and Docking, we provide a web server to seamlessly model GPCR structures and dock ligands to the models in a single consistent pipeline. GOMoDo can automatically perform template choice, homology modeling and either blind or information-driven docking by combining together proven, state of the art bioinformatic tools. The web server gives the user the possibility of guiding the whole procedure. The GOMoDo server is freely accessible at http://molsim.sci.univr.it/gomodo.

  2. Inspection by docking of nuclear-powered ship 'Mutsu'

    International Nuclear Information System (INIS)

    1989-01-01

    Japan Atomic Energy Research Institute carried out the docking and inspection of the nuclear-powered ship 'Mutsu' at Sekinehama Port, Mutsu City, Aomori Prefecture, from the middle of June to late in July, 1989. In this inspection, the Mutsu was mounted on a floating dock off the coast, the dock was towed by tugboats into the port and moored at the pier, and after completing the works in the dock, the dock was towed to the outside of the port, and the Mutsu was launched. The Mutsu was built as a nuclear power experiment ship, and length 130 m, breadth 19 m, depth 13.2 m, design draft at full load 6.9 m, 8242 GT. One PWR of 36 MWt and one steam turbine of 10000 ps are installed, and velocity is 16.5 knots. In September, 1974, after the first criticality, the leak of radioactivity occurred. The repair of shield and general inspection on safety were carried out in Sasebo Shipyard from August, 1980 to August, 1982. Thereafter, the Mutsu stayed in Ominato, but in January, 1988, after the completion of Sekinehama Port, the Mutsu was brought there. The Sekinehama Port, the test and inspection of the Mutsu carried out so far and the plan of hereafter are reported. (K.I.)

  3. GPU acceleration of Dock6's Amber scoring computation.

    Science.gov (United States)

    Yang, Hailong; Zhou, Qiongqiong; Li, Bo; Wang, Yongjian; Luan, Zhongzhi; Qian, Depei; Li, Hanlu

    2010-01-01

    Dressing the problem of virtual screening is a long-term goal in the drug discovery field, which if properly solved, can significantly shorten new drugs' R&D cycle. The scoring functionality that evaluates the fitness of the docking result is one of the major challenges in virtual screening. In general, scoring functionality in docking requires a large amount of floating-point calculations, which usually takes several weeks or even months to be finished. This time-consuming procedure is unacceptable, especially when highly fatal and infectious virus arises such as SARS and H1N1, which forces the scoring task to be done in a limited time. This paper presents how to leverage the computational power of GPU to accelerate Dock6's (http://dock.compbio.ucsf.edu/DOCK_6/) Amber (J. Comput. Chem. 25: 1157-1174, 2004) scoring with NVIDIA CUDA (NVIDIA Corporation Technical Staff, Compute Unified Device Architecture - Programming Guide, NVIDIA Corporation, 2008) (Compute Unified Device Architecture) platform. We also discuss many factors that will greatly influence the performance after porting the Amber scoring to GPU, including thread management, data transfer, and divergence hidden. Our experiments show that the GPU-accelerated Amber scoring achieves a 6.5× speedup with respect to the original version running on AMD dual-core CPU for the same problem size. This acceleration makes the Amber scoring more competitive and efficient for large-scale virtual screening problems.

  4. Effects of administration of a local anaesthetic and/or an NSAID and of docking length on the behaviour of piglets during 5 h after tail docking

    DEFF Research Database (Denmark)

    Herskin, Mette S.; Di Giminiani, Pierpaolo; Thodberg, Karen

    2016-01-01

    cautery 2–4 days after birth and based on behaviour during docking as well as the following 5 h. The study involved three main factors: local anaesthetic (Lidocain), NSAID (Meloxicam) and docking length. Either 100%, 75%, 50% or 25% of the tails were left on the body of the piglets. Irrespective...... that effects of this management routine are more persistent than earlier suggested, and suggesting that docking length may influence the post-surgical behaviour of piglets. By use of the present sites of injection and dosages, neither local anaesthetic nor NSAID had marked effects on post-surgical behavioural......In many countries, piglets are tail docked to prevent tail biting. The aim of this study was 1) to evaluate the efficacy of a local anaesthetic and/or NSAID to reduce pain caused by tail docking; and 2) to examine interactions with docking length. This was examined in 295 piglets docked by hot iron...

  5. A non-docking intraoperative electron beam applicator system

    International Nuclear Information System (INIS)

    Palta, J.R.; Suntharalingam, N.

    1989-01-01

    A non-docking intraoperative radiation therapy electron beam applicator system for a linear accelerator has been designed to minimize the mechanical, electrical, and tumor visualization problems associated with a docking system. A number of technical innovations have been used in the design of this system. These include: (a) a new intraoperative radiation therapy cone design that gives a better dose uniformity in the treatment volume at all depths; (b) a collimation system which reduces the leakage radiation dose to tissues outside the intraoperative radiation therapy cone; (c) a non-docking system with a translational accuracy of 2 mm and a rotational accuracy of 0.5 degrees; and (d) a rigid clamping system for the cones. A comprehensive set of dosimetric characteristics of the intraoperative radiation therapy applicator system is presented

  6. Space Shuttle Program (SSP) Dual Docked Operations (DDO)

    Science.gov (United States)

    Sills, Joel W., Jr.; Bruno, Erica E.

    2016-01-01

    This document describes the concept definition, studies, and analysis results generated by the Space Shuttle Program (SSP), International Space Station (ISS) Program (ISSP), and Mission Operations Directorate for implementing Dual Docked Operations (DDO) during mated Orbiter/ISS missions. This work was performed over a number of years. Due to the ever increasing visiting vehicle traffic to and from the ISS, it became apparent to both the ISSP and the SSP that there would arise occasions where conflicts between a visiting vehicle docking and/or undocking could overlap with a planned Space Shuttle launch and/or during docked operations. This potential conflict provided the genesis for evaluating risk mitigations to gain maximum flexibility for managing potential visiting vehicle traffic to and from the ISS and to maximize launch and landing opportunities for all visiting vehicles.

  7. Protein-Protein Docking in Drug Design and Discovery.

    Science.gov (United States)

    Kaczor, Agnieszka A; Bartuzi, Damian; Stępniewski, Tomasz Maciej; Matosiuk, Dariusz; Selent, Jana

    2018-01-01

    Protein-protein interactions (PPIs) are responsible for a number of key physiological processes in the living cells and underlie the pathomechanism of many diseases. Nowadays, along with the concept of so-called "hot spots" in protein-protein interactions, which are well-defined interface regions responsible for most of the binding energy, these interfaces can be targeted with modulators. In order to apply structure-based design techniques to design PPIs modulators, a three-dimensional structure of protein complex has to be available. In this context in silico approaches, in particular protein-protein docking, are a valuable complement to experimental methods for elucidating 3D structure of protein complexes. Protein-protein docking is easy to use and does not require significant computer resources and time (in contrast to molecular dynamics) and it results in 3D structure of a protein complex (in contrast to sequence-based methods of predicting binding interfaces). However, protein-protein docking cannot address all the aspects of protein dynamics, in particular the global conformational changes during protein complex formation. In spite of this fact, protein-protein docking is widely used to model complexes of water-soluble proteins and less commonly to predict structures of transmembrane protein assemblies, including dimers and oligomers of G protein-coupled receptors (GPCRs). In this chapter we review the principles of protein-protein docking, available algorithms and software and discuss the recent examples, benefits, and drawbacks of protein-protein docking application to water-soluble proteins, membrane anchoring and transmembrane proteins, including GPCRs.

  8. Behaviour of tail-docked lambs tested in isolation

    Directory of Open Access Journals (Sweden)

    Marchewka Joanna

    2016-12-01

    Full Text Available The aims of the current study were to detect behavioural indicators of pain of tail-docked sheep tested in isolation and to determine the relationship between behaviour and the pain levels to which they were exposed. Twenty-four female lambs, randomly assigned to four pens, had their tail docked with a rubber ring (TD; n = 6 without pain control procedures, TD with anaesthesia (TDA; n = 6 or TD with anaesthesia and analgesia (TDAA; n = 6. Additionally, six lambs handled but without tail docking or application of pain relief measures were used as the control (C. On the day prior (Day –1 to the TD and on days 1, 3 and 5 post-procedure, each lamb was individually removed from its group and underwent a 2.5 min open field test in a separate pen. Frequencies of behaviours such as rest, running, standing, walking and exploring were directly observed. Frequencies of exploratory climbs (ECs and abrupt climbs (ACs over the testing pen’s walls were video-recorded. Data were analysed using generalised linear mixed models with repeated measurements, including treatment and day as fixed effects and behaviour on Day –1 as a linear covariate. Control and TDAA lambs stood more frequently than TD lambs. TD lambs performed significantly more ACs compared to all other treatment groups. No other treatment effects were detected. A day effect was detected for all behaviours, while the EC frequency was highest for all tail-docked lambs on Day 5. Findings suggest that standing, ACs and ECs could be used as potential indicators of pain in isolated tail-docked lambs. However, differences in ECs between treatments only appeared 3 d after tail docking.

  9. Submarines, spacecraft and exhaled breath.

    Science.gov (United States)

    Pleil, Joachim D; Hansel, Armin

    2012-03-01

    Foreword The International Association of Breath Research (IABR) meetings are an eclectic gathering of researchers in the medical, environmental and instrumentation fields; our focus is on human health as assessed by the measurement and interpretation of trace chemicals in human exhaled breath. What may have escaped our notice is a complementary field of research that explores the creation and maintenance of artificial atmospheres practised by the submarine air monitoring and air purification (SAMAP) community. SAMAP is comprised of manufacturers, researchers and medical professionals dealing with the engineering and instrumentation to support human life in submarines and spacecraft (including shuttlecraft and manned rockets, high-altitude aircraft, and the International Space Station (ISS)). Here, the immediate concerns are short-term survival and long-term health in fairly confined environments where one cannot simply 'open the window' for fresh air. As such, one of the main concerns is air monitoring and the main sources of contamination are CO(2) and other constituents of human exhaled breath. Since the inaugural meeting in 1994 in Adelaide, Australia, SAMAP meetings have been held every two or three years alternating between the North American and European continents. The meetings are organized by Dr Wally Mazurek (a member of IABR) of the Defense Systems Technology Organization (DSTO) of Australia, and individual meetings are co-hosted by the navies of the countries in which they are held. An overriding focus at SAMAP is life support (oxygen availability and carbon dioxide removal). Certainly, other air constituents are also important; for example, the closed environment of a submarine or the ISS can build up contaminants from consumer products, cooking, refrigeration, accidental fires, propulsion and atmosphere maintenance. However, the most immediate concern is sustaining human metabolism: removing exhaled CO(2) and replacing metabolized O(2). Another

  10. Parallel Evolutionary Optimization Algorithms for Peptide-Protein Docking

    Science.gov (United States)

    Poluyan, Sergey; Ershov, Nikolay

    2018-02-01

    In this study we examine the possibility of using evolutionary optimization algorithms in protein-peptide docking. We present the main assumptions that reduce the docking problem to a continuous global optimization problem and provide a way of using evolutionary optimization algorithms. The Rosetta all-atom force field was used for structural representation and energy scoring. We describe the parallelization scheme and MPI/OpenMP realization of the considered algorithms. We demonstrate the efficiency and the performance for some algorithms which were applied to a set of benchmark tests.

  11. Foot Pedals for Spacecraft Manual Control

    Science.gov (United States)

    Love, Stanley G.; Morin, Lee M.; McCabe, Mary

    2010-01-01

    Fifty years ago, NASA decided that the cockpit controls in spacecraft should be like the ones in airplanes. But controls based on the stick and rudder may not be best way to manually control a vehicle in space. A different method is based on submersible vehicles controlled with foot pedals. A new pilot can learn the sub's control scheme in minutes and drive it hands-free. We are building a pair of foot pedals for spacecraft control, and will test them in a spacecraft flight simulator.

  12. Scheduling trucks in cross docking systems with temporary storage and dock repeat truck holding pattern using genetic algorithm

    Directory of Open Access Journals (Sweden)

    Ehsan Ghobadian

    2013-02-01

    Full Text Available Cross docking is one of the most important issues in management of supply chains. In cross docking, different items delivered to a warehouse by inbound trucks are directly arranged and reorganized based on customer demands, routed and loaded into outbound trucks for delivery purposes to customers without virtually keeping them at the warehouse. If any item is kept in storage, it is normally for a short amount of time, say less than 24 hours. In this paper, we consider a special case of cross docking where there is temporary storage and implements genetic algorithm to solve the resulted problem for some realistic test problems. In our method, we first use some heuristics as initial solutions and then improve the final solution using genetic algorithm. The performance of the proposed model is compared with alternative solution strategy, the GRASP method.

  13. Distributed Autonomous Control of Multiple Spacecraft During Close Proximity Operations

    National Research Council Canada - National Science Library

    McCamish, Shawn B

    2007-01-01

    This research contributes to multiple spacecraft control by developing an autonomous distributed control algorithm for close proximity operations of multiple spacecraft systems, including rendezvous...

  14. Spacecraft Swarm Coordination and Planning Tool, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Fractionated spacecraft architectures to distribute mission performance from a single, monolithic satellite across large number of smaller spacecraft, for missions...

  15. Spacecraft Cabin Particulate Monitor, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — We have built and tested an optical extinction monitor for the detection of spacecraft cabin particulates. This sensor sensitive to particle sizes ranging from a few...

  16. SSTI- Lewis Spacecraft Nickel-Hydrogen Battery

    Science.gov (United States)

    Tobias, R. F.

    1997-01-01

    Topics considered include: NASA-Small Spacecraft Technology Initiative (SSTI) objectives, SSTI-Lewis overview, battery requirement, two cells Common Pressure Vessel (CPV) design summary, CPV electric performance, battery design summary, battery functional description, battery performance.

  17. Spacecraft Cabin Particulate Monitor, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to design, build and test an optical extinction monitor for the detection of spacecraft cabin particulates. This monitor will be sensitive to particle...

  18. Automated constraint checking of spacecraft command sequences

    Science.gov (United States)

    Horvath, Joan C.; Alkalaj, Leon J.; Schneider, Karl M.; Spitale, Joseph M.; Le, Dang

    1995-01-01

    Robotic spacecraft are controlled by onboard sets of commands called "sequences." Determining that sequences will have the desired effect on the spacecraft can be expensive in terms of both labor and computer coding time, with different particular costs for different types of spacecraft. Specification languages and appropriate user interface to the languages can be used to make the most effective use of engineering validation time. This paper describes one specification and verification environment ("SAVE") designed for validating that command sequences have not violated any flight rules. This SAVE system was subsequently adapted for flight use on the TOPEX/Poseidon spacecraft. The relationship of this work to rule-based artificial intelligence and to other specification techniques is discussed, as well as the issues that arise in the transfer of technology from a research prototype to a full flight system.

  19. Computational Model for Spacecraft/Habitat Volume

    Data.gov (United States)

    National Aeronautics and Space Administration — Please note that funding to Dr. Simon Hsiang, a critical co-investigator for the development of the Spacecraft Optimization Layout and Volume (SOLV) model, was...

  20. Industry perspectives on Plug-& -Play Spacecraft Avionics

    Science.gov (United States)

    Franck, R.; Graven, P.; Liptak, L.

    This paper describes the methodologies and findings from an industry survey of awareness and utility of Spacecraft Plug-& -Play Avionics (SPA). The survey was conducted via interviews, in-person and teleconference, with spacecraft prime contractors and suppliers. It focuses primarily on AFRL's SPA technology development activities but also explores the broader applicability and utility of Plug-& -Play (PnP) architectures for spacecraft. Interviews include large and small suppliers as well as large and small spacecraft prime contractors. Through these “ product marketing” interviews, awareness and attitudes can be assessed, key technical and market barriers can be identified, and opportunities for improvement can be uncovered. Although this effort focuses on a high-level assessment, similar processes can be used to develop business cases and economic models which may be necessary to support investment decisions.

  1. Spacecraft Multiple Array Communication System Performance Analysis

    Science.gov (United States)

    Hwu, Shian U.; Desilva, Kanishka; Sham, Catherine C.

    2010-01-01

    The Communication Systems Simulation Laboratory (CSSL) at the NASA Johnson Space Center is tasked to perform spacecraft and ground network communication system simulations, design validation, and performance verification. The CSSL has developed simulation tools that model spacecraft communication systems and the space and ground environment in which the tools operate. In this paper, a spacecraft communication system with multiple arrays is simulated. Multiple array combined technique is used to increase the radio frequency coverage and data rate performance. The technique is to achieve phase coherence among the phased arrays to combine the signals at the targeting receiver constructively. There are many technical challenges in spacecraft integration with a high transmit power communication system. The array combining technique can improve the communication system data rate and coverage performances without increasing the system transmit power requirements. Example simulation results indicate significant performance improvement can be achieved with phase coherence implementation.

  2. Formation of disintegration particles in spacecraft recorders

    International Nuclear Information System (INIS)

    Kurnosova, L.V.; Fradkin, M.I.; Razorenov, L.A.

    1986-01-01

    Experiments performed on the spacecraft Salyut 1, Kosmos 410, and Kosmos 443 enable us to record the disintegration products of particles which are formed in the material of the detectors on board the spacecraft. The observations were made by means of a delayed coincidence method. We have detected a meson component and also a component which is apparently associated with the generation of radioactive isotopes in the detectors

  3. Power requirements for commercial communications spacecraft

    Science.gov (United States)

    Billerbeck, W. J.

    1985-01-01

    Historical data on commercial spacecraft power systems are presented and their power requirements to the growth of satellite communications channel usage are related. Some approaches for estimating future power requirements of this class of spacecraft through the year 2000 are proposed. The key technology drivers in satellite power systems are addressed. Several technological trends in such systems are described, focusing on the most useful areas for research and development of major subsystems, including solar arrays, energy storage, and power electronics equipment.

  4. A Reconfigurable Testbed Environment for Spacecraft Autonomy

    Science.gov (United States)

    Biesiadecki, Jeffrey; Jain, Abhinandan

    1996-01-01

    A key goal of NASA's New Millennium Program is the development of technology for increased spacecraft on-board autonomy. Achievement of this objective requires the development of a new class of ground-based automony testbeds that can enable the low-cost and rapid design, test, and integration of the spacecraft autonomy software. This paper describes the development of an Autonomy Testbed Environment (ATBE) for the NMP Deep Space I comet/asteroid rendezvous mission.

  5. Solvated protein-protein docking using Kyte-Doolittle-based water preferences

    NARCIS (Netherlands)

    Kastritis, P.; Visscher, K.M.; van Dijk, A.D.J.; Bonvin, A.M.J.J.

    2013-01-01

    HADDOCK is one of the few docking programs that can explicitly account for water molecules in the docking process. Its solvated docking protocol starts from hydrated molecules and a fraction of the resulting interfacial waters is subsequently removed in a biased Monte Carlo procedure based on

  6. Solvated protein-protein docking using Kyte-Doolittle-based water preferences

    NARCIS (Netherlands)

    Kastritis, Panagiotis L.; Visscher, Koen M.; van Dijk, Aalt D.J.; Bonvin, Alexandre M.J.J.

    HADDOCK is one of the few docking programs that can explicitly account for water molecules in the docking process. Its solvated docking protocol starts from hydrated molecules and a fraction of the resulting interfacial waters is subsequently removed in a biased Monte Carlo procedure based on

  7. More tail lesions among undocked than tail docked pigs in a conventional herd

    DEFF Research Database (Denmark)

    Lahrmann, H. P.; Busch, M. E.; D'Eath, R. B.

    2017-01-01

    The vast majority of piglets reared in the European Union (EU) and worldwide is tail docked to reduce the risk of being tail bitten, even though EU animal welfare legislation bans routine tail docking. Many conventional herds experience low levels of tail biting among tail docked pigs, however...

  8. Radiation Effects on Spacecraft Structural Materials

    International Nuclear Information System (INIS)

    Wang, Jy-An J.; Ellis, Ronald J.; Hunter, Hamilton T.; Singleterry, Robert C. Jr.

    2002-01-01

    Research is being conducted to develop an integrated technology for the prediction of aging behavior for space structural materials during service. This research will utilize state-of-the-art radiation experimental apparatus and analysis, updated codes and databases, and integrated mechanical and radiation testing techniques to investigate the suitability of numerous current and potential spacecraft structural materials. Also included are the effects on structural materials in surface modules and planetary landing craft, with or without fission power supplies. Spacecraft structural materials would also be in hostile radiation environments on the surface of the moon and planets without appreciable atmospheres and moons around planets with large intense magnetic and radiation fields (such as the Jovian moons). The effects of extreme temperature cycles in such locations compounds the effects of radiation on structural materials. This paper describes the integrated methodology in detail and shows that it will provide a significant technological advance for designing advanced spacecraft. This methodology will also allow for the development of advanced spacecraft materials through the understanding of the underlying mechanisms of material degradation in the space radiation environment. Thus, this technology holds a promise for revolutionary advances in material damage prediction and protection of space structural components as, for example, in the development of guidelines for managing surveillance programs regarding the integrity of spacecraft components, and the safety of the aging spacecraft. (authors)

  9. Standardizing the information architecture for spacecraft operations

    Science.gov (United States)

    Easton, C. R.

    1994-01-01

    This paper presents an information architecture developed for the Space Station Freedom as a model from which to derive an information architecture standard for advanced spacecraft. The information architecture provides a way of making information available across a program, and among programs, assuming that the information will be in a variety of local formats, structures and representations. It provides a format that can be expanded to define all of the physical and logical elements that make up a program, add definitions as required, and import definitions from prior programs to a new program. It allows a spacecraft and its control center to work in different representations and formats, with the potential for supporting existing spacecraft from new control centers. It supports a common view of data and control of all spacecraft, regardless of their own internal view of their data and control characteristics, and of their communications standards, protocols and formats. This information architecture is central to standardizing spacecraft operations, in that it provides a basis for information transfer and translation, such that diverse spacecraft can be monitored and controlled in a common way.

  10. Attitude Estimation in Fractionated Spacecraft Cluster Systems

    Science.gov (United States)

    Hadaegh, Fred Y.; Blackmore, James C.

    2011-01-01

    An attitude estimation was examined in fractioned free-flying spacecraft. Instead of a single, monolithic spacecraft, a fractionated free-flying spacecraft uses multiple spacecraft modules. These modules are connected only through wireless communication links and, potentially, wireless power links. The key advantage of this concept is the ability to respond to uncertainty. For example, if a single spacecraft module in the cluster fails, a new one can be launched at a lower cost and risk than would be incurred with onorbit servicing or replacement of the monolithic spacecraft. In order to create such a system, however, it is essential to know what the navigation capabilities of the fractionated system are as a function of the capabilities of the individual modules, and to have an algorithm that can perform estimation of the attitudes and relative positions of the modules with fractionated sensing capabilities. Looking specifically at fractionated attitude estimation with startrackers and optical relative attitude sensors, a set of mathematical tools has been developed that specify the set of sensors necessary to ensure that the attitude of the entire cluster ( cluster attitude ) can be observed. Also developed was a navigation filter that can estimate the cluster attitude if these conditions are satisfied. Each module in the cluster may have either a startracker, a relative attitude sensor, or both. An extended Kalman filter can be used to estimate the attitude of all modules. A range of estimation performances can be achieved depending on the sensors used and the topology of the sensing network.

  11. Complete cDNA sequence coding for human docking protein

    Energy Technology Data Exchange (ETDEWEB)

    Hortsch, M; Labeit, S; Meyer, D I

    1988-01-11

    Docking protein (DP, or SRP receptor) is a rough endoplasmic reticulum (ER)-associated protein essential for the targeting and translocation of nascent polypeptides across this membrane. It specifically interacts with a cytoplasmic ribonucleoprotein complex, the signal recognition particle (SRP). The nucleotide sequence of cDNA encoding the entire human DP and its deduced amino acid sequence are given.

  12. Synthesis, biological evaluation and molecular docking studies of ...

    African Journals Online (AJOL)

    Synthesis, biological evaluation and molecular docking studies of Mannich bases derived from 1, 3, 4-oxadiazole- 2-thiones as potential urease inhibitors. ... Mannich bases (5-17) were subjected to in silico screening as urease inhibitors, using crystal structure of urease (Protein Data Bank ID: 5FSE) as a model enzyme.

  13. Application of the docking program SOL for CSAR benchmark.

    Science.gov (United States)

    Sulimov, Alexey V; Kutov, Danil C; Oferkin, Igor V; Katkova, Ekaterina V; Sulimov, Vladimir B

    2013-08-26

    This paper is devoted to results obtained by the docking program SOL and the post-processing program DISCORE at the CSAR benchmark. SOL and DISCORE programs are described. SOL is the original docking program developed on the basis of the genetic algorithm, MMFF94 force field, rigid protein, precalculated energy grid including desolvation in the frame of simplified GB model, vdW, and electrostatic interactions and taking into account the ligand internal strain energy. An important SOL feature is the single- or multi-processor performance for up to hundreds of CPUs. DISCORE improves the binding energy scoring by the local energy optimization of the ligand docked pose and a simple linear regression on the base of available experimental data. The docking program SOL has demonstrated a good ability for correct ligand positioning in the active sites of the tested proteins in most cases of CSAR exercises. SOL and DISCORE have not demonstrated very exciting results on the protein-ligand binding free energy estimation. Nevertheless, for some target proteins, SOL and DISCORE were among the first in prediction of inhibition activity. Ways to improve SOL and DISCORE are discussed.

  14. Molecular Dynamics and Docking of Biphenyl: A Potential ...

    African Journals Online (AJOL)

    Purpose: To develop a new drug that inhibits viral attachment and entry for the treatment of HIV/AIDS patients. Methods: Two Protein Databank (PDB) crystal structures of HIV-1 gp120-CD4 complexes, namely, 1RZK and 1G9N, were mutated at amino acid position 43 to a biphenylalanine (biPhe-43) residue. FireDock web ...

  15. Transcriptional Dysregulation of MYC Reveals Common Enhancer-Docking Mechanism

    Directory of Open Access Journals (Sweden)

    Jurian Schuijers

    2018-04-01

    Full Text Available Summary: Transcriptional dysregulation of the MYC oncogene is among the most frequent events in aggressive tumor cells, and this is generally accomplished by acquisition of a super-enhancer somewhere within the 2.8 Mb TAD where MYC resides. We find that these diverse cancer-specific super-enhancers, differing in size and location, interact with the MYC gene through a common and conserved CTCF binding site located 2 kb upstream of the MYC promoter. Genetic perturbation of this enhancer-docking site in tumor cells reduces CTCF binding, super-enhancer interaction, MYC gene expression, and cell proliferation. CTCF binding is highly sensitive to DNA methylation, and this enhancer-docking site, which is hypomethylated in diverse cancers, can be inactivated through epigenetic editing with dCas9-DNMT. Similar enhancer-docking sites occur at other genes, including genes with prominent roles in multiple cancers, suggesting a mechanism by which tumor cell oncogenes can generally hijack enhancers. These results provide insights into mechanisms that allow a single target gene to be regulated by diverse enhancer elements in different cell types. : Schuijers et al. show that a conserved CTCF site at the promoter of the MYC oncogene plays an important role in enhancer-promoter looping with tumor-specific super-enhancers. Perturbation of this site provides a potential therapeutic vulnerability. Keywords: gene regulation, super-enhancers, chromosome structure, enhancer docking

  16. SKATE: a docking program that decouples systematic sampling from scoring.

    Science.gov (United States)

    Feng, Jianwen A; Marshall, Garland R

    2010-11-15

    SKATE is a docking prototype that decouples systematic sampling from scoring. This novel approach removes any interdependence between sampling and scoring functions to achieve better sampling and, thus, improves docking accuracy. SKATE systematically samples a ligand's conformational, rotational and translational degrees of freedom, as constrained by a receptor pocket, to find sterically allowed poses. Efficient systematic sampling is achieved by pruning the combinatorial tree using aggregate assembly, discriminant analysis, adaptive sampling, radial sampling, and clustering. Because systematic sampling is decoupled from scoring, the poses generated by SKATE can be ranked by any published, or in-house, scoring function. To test the performance of SKATE, ligands from the Asetex/CDCC set, the Surflex set, and the Vertex set, a total of 266 complexes, were redocked to their respective receptors. The results show that SKATE was able to sample poses within 2 A RMSD of the native structure for 98, 95, and 98% of the cases in the Astex/CDCC, Surflex, and Vertex sets, respectively. Cross-docking accuracy of SKATE was also assessed by docking 10 ligands to thymidine kinase and 73 ligands to cyclin-dependent kinase. 2010 Wiley Periodicals, Inc.

  17. The pickup and delivery problem with cross-docking opportunity

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann; Røpke, Stefan

    2011-01-01

    delivery by one truck, or by being picked up and transported to the cross-dock by one vehicle, and subsequently delivered at its final destination by another vehicle. Handling times at customers sites and terminal are given. A typical daily instance includes 500-1,000 requests. We solve the problem using...

  18. Synthesis, anti-microbial activity and molecular docking studies on ...

    Indian Academy of Sciences (India)

    Molecular structures of triazolylcoumarins 1–8. method and are ... organic layer was washed with water (100 mL) and sat- ... (0.5mmol) in a mixture of THF and water (1:1) solution. ..... for docking studies with the target DNA gyrase B (PDB.

  19. Synthesis and molecular docking of new hydrazones derived from ...

    African Journals Online (AJOL)

    Synthesis and molecular docking of new hydrazones derived from ethyl isonipecotate and their biological activities. A Munir, Aziz-ur Rehman, M.A. Abbasi, S.Z. Siddiqui, A Nasir, S.G. Khan, S Rasool, S.A.A. Shah ...

  20. Tail docking in dogs: can attitude change be achieved?

    Science.gov (United States)

    Bennett, P; Perini, E

    2003-05-01

    The debate about tail docking in domestic dogs continues to rage in many developed countries and attitudes expressed by different community groups remain diametrically opposed. Veterinary associations and welfare organisations typically want the practice banned, while many breeders and pure-bred dog associations just as vigorously oppose the introduction of anti-docking legislation. In recent years, much data have been accumulated concerning the welfare implications of tail docking. A recent evaluation of this literature suggests that the practice has little to recommend it and that, in the absence of reasonable case-by-case justification, it may constitute an unacceptable abuse of a sentient species. Given this situation, it is difficult to understand why many canine interest groups, presumably representing those people who care most about the welfare of companion dogs, should continue to hold such strong attitudes in favour of tail docking. In this review we attempt to explain why different community groups might espouse strong but opposing attitudes, despite having access to the same information. We argue that the theory of cognitive dissonance, popular among social psychologists, may provide a useful framework within which to understand, and attempt to alter, attitudes that persist even though they appear contrary to available empirical evidence.

  1. Tail Docking and Ear Cropping Dogs: Public Awareness and Perceptions.

    Directory of Open Access Journals (Sweden)

    Katelyn E Mills

    Full Text Available Tail docking and ear cropping are two surgical procedures commonly performed on many dog breeds. These procedures are classified as medically unnecessary surgeries whose purpose is primarily cosmetic. Available attitude research surrounding these controversial practices has been limited to surveys of veterinarians and dog breeders familiar with both practices. The aim of this project was to: 1 assess public awareness of tail docking and ear cropping, 2 determine whether physical alteration of a dog affects how the dog, and 3 owner are perceived. In Experiment 1 awareness was measured using a combination of both explicit and implicit measures. We found that 42% of participants (n = 810 were unable to correctly explain the reason why tail docked and ear cropped dogs had short ears and tails. Similarly, an implicit measure of awareness ('nature vs nurture task', found that the majority of participants believed short tails and erect ears were a consequence of genetics rather than something the owner or breeder had done. The results obtained in Experiment 2 (n = 392 provide evidence that ear cropped and tail docked dogs are perceived differently than an identical dog in its 'natural' state. Modified dogs were perceived as being more aggressive, more dominant, less playful and less attractive than natural dogs. Experiment 3 (n = 410 is the first evidence that owners of modified dogs are perceived as being more aggressive, more narcissistic, less playful, less talkative and less warm compared to owners of natural dogs. Taken together, these results suggest that although a significant proportion of subjects appear unaware of the practices of tail docking and ear cropping in dogs, these procedures have significant impacts on how modified dogs and their owners are perceived by others.

  2. Tail Docking and Ear Cropping Dogs: Public Awareness and Perceptions.

    Science.gov (United States)

    Mills, Katelyn E; Robbins, Jesse; von Keyserlingk, Marina A G

    2016-01-01

    Tail docking and ear cropping are two surgical procedures commonly performed on many dog breeds. These procedures are classified as medically unnecessary surgeries whose purpose is primarily cosmetic. Available attitude research surrounding these controversial practices has been limited to surveys of veterinarians and dog breeders familiar with both practices. The aim of this project was to: 1) assess public awareness of tail docking and ear cropping, 2) determine whether physical alteration of a dog affects how the dog, and 3) owner are perceived. In Experiment 1 awareness was measured using a combination of both explicit and implicit measures. We found that 42% of participants (n = 810) were unable to correctly explain the reason why tail docked and ear cropped dogs had short ears and tails. Similarly, an implicit measure of awareness ('nature vs nurture task'), found that the majority of participants believed short tails and erect ears were a consequence of genetics rather than something the owner or breeder had done. The results obtained in Experiment 2 (n = 392) provide evidence that ear cropped and tail docked dogs are perceived differently than an identical dog in its 'natural' state. Modified dogs were perceived as being more aggressive, more dominant, less playful and less attractive than natural dogs. Experiment 3 (n = 410) is the first evidence that owners of modified dogs are perceived as being more aggressive, more narcissistic, less playful, less talkative and less warm compared to owners of natural dogs. Taken together, these results suggest that although a significant proportion of subjects appear unaware of the practices of tail docking and ear cropping in dogs, these procedures have significant impacts on how modified dogs and their owners are perceived by others.

  3. Autonomous Vision-Based Tethered-Assisted Rover Docking

    Science.gov (United States)

    Tsai, Dorian; Nesnas, Issa A.D.; Zarzhitsky, Dimitri

    2013-01-01

    Many intriguing science discoveries on planetary surfaces, such as the seasonal flows on crater walls and skylight entrances to lava tubes, are at sites that are currently inaccessible to state-of-the-art rovers. The in situ exploration of such sites is likely to require a tethered platform both for mechanical support and for providing power and communication. Mother/daughter architectures have been investigated where a mother deploys a tethered daughter into extreme terrains. Deploying and retracting a tethered daughter requires undocking and re-docking of the daughter to the mother, with the latter being the challenging part. In this paper, we describe a vision-based tether-assisted algorithm for the autonomous re-docking of a daughter to its mother following an extreme terrain excursion. The algorithm uses fiducials mounted on the mother to improve the reliability and accuracy of estimating the pose of the mother relative to the daughter. The tether that is anchored by the mother helps the docking process and increases the system's tolerance to pose uncertainties by mechanically aligning the mating parts in the final docking phase. A preliminary version of the algorithm was developed and field-tested on the Axel rover in the JPL Mars Yard. The algorithm achieved an 80% success rate in 40 experiments in both firm and loose soils and starting from up to 6 m away at up to 40 deg radial angle and 20 deg relative heading. The algorithm does not rely on an initial estimate of the relative pose. The preliminary results are promising and help retire the risk associated with the autonomous docking process enabling consideration in future martian and lunar missions.

  4. Large-Scale Spacecraft Fire Safety Tests

    Science.gov (United States)

    Urban, David; Ruff, Gary A.; Ferkul, Paul V.; Olson, Sandra; Fernandez-Pello, A. Carlos; T'ien, James S.; Torero, Jose L.; Cowlard, Adam J.; Rouvreau, Sebastien; Minster, Olivier; hide

    2014-01-01

    An international collaborative program is underway to address open issues in spacecraft fire safety. Because of limited access to long-term low-gravity conditions and the small volume generally allotted for these experiments, there have been relatively few experiments that directly study spacecraft fire safety under low-gravity conditions. Furthermore, none of these experiments have studied sample sizes and environment conditions typical of those expected in a spacecraft fire. The major constraint has been the size of the sample, with prior experiments limited to samples of the order of 10 cm in length and width or smaller. This lack of experimental data forces spacecraft designers to base their designs and safety precautions on 1-g understanding of flame spread, fire detection, and suppression. However, low-gravity combustion research has demonstrated substantial differences in flame behavior in low-gravity. This, combined with the differences caused by the confined spacecraft environment, necessitates practical scale spacecraft fire safety research to mitigate risks for future space missions. To address this issue, a large-scale spacecraft fire experiment is under development by NASA and an international team of investigators. This poster presents the objectives, status, and concept of this collaborative international project (Saffire). The project plan is to conduct fire safety experiments on three sequential flights of an unmanned ISS re-supply spacecraft (the Orbital Cygnus vehicle) after they have completed their delivery of cargo to the ISS and have begun their return journeys to earth. On two flights (Saffire-1 and Saffire-3), the experiment will consist of a flame spread test involving a meter-scale sample ignited in the pressurized volume of the spacecraft and allowed to burn to completion while measurements are made. On one of the flights (Saffire-2), 9 smaller (5 x 30 cm) samples will be tested to evaluate NASAs material flammability screening tests

  5. Re-docking scheme for generating near-native protein complexes by assembling residue interaction fingerprints.

    Directory of Open Access Journals (Sweden)

    Nobuyuki Uchikoga

    Full Text Available Interaction profile method is a useful method for processing rigid-body docking. After the docking process, the resulting set of docking poses could be classified by calculating similarities among them using these interaction profiles to search for near-native poses. However, there are some cases where the near-native poses are not included in this set of docking poses even when the bound-state structures are used. Therefore, we have developed a method for generating near-native docking poses by introducing a re-docking process. We devised a method for calculating the profile of interaction fingerprints by assembling protein complexes after determining certain core-protein complexes. For our analysis, we used 44 bound-state protein complexes selected from the ZDOCK benchmark dataset ver. 2.0, including some protein pairs none of which generated near-native poses in the docking process. Consequently, after the re-docking process we obtained profiles of interaction fingerprints, some of which yielded near-native poses. The re-docking process involved searching for possible docking poses in a restricted area using the profile of interaction fingerprints. If the profile includes interactions identical to those in the native complex, we obtained near-native docking poses. Accordingly, near-native poses were obtained for all bound-state protein complexes examined here. Application of interaction fingerprints to the re-docking process yielded structures with more native interactions, even when a docking pose, obtained following the initial docking process, contained only a small number of native amino acid interactions. Thus, utilization of the profile of interaction fingerprints in the re-docking process yielded more near-native poses.

  6. Re-docking scheme for generating near-native protein complexes by assembling residue interaction fingerprints.

    Science.gov (United States)

    Uchikoga, Nobuyuki; Matsuzaki, Yuri; Ohue, Masahito; Hirokawa, Takatsugu; Akiyama, Yutaka

    2013-01-01

    Interaction profile method is a useful method for processing rigid-body docking. After the docking process, the resulting set of docking poses could be classified by calculating similarities among them using these interaction profiles to search for near-native poses. However, there are some cases where the near-native poses are not included in this set of docking poses even when the bound-state structures are used. Therefore, we have developed a method for generating near-native docking poses by introducing a re-docking process. We devised a method for calculating the profile of interaction fingerprints by assembling protein complexes after determining certain core-protein complexes. For our analysis, we used 44 bound-state protein complexes selected from the ZDOCK benchmark dataset ver. 2.0, including some protein pairs none of which generated near-native poses in the docking process. Consequently, after the re-docking process we obtained profiles of interaction fingerprints, some of which yielded near-native poses. The re-docking process involved searching for possible docking poses in a restricted area using the profile of interaction fingerprints. If the profile includes interactions identical to those in the native complex, we obtained near-native docking poses. Accordingly, near-native poses were obtained for all bound-state protein complexes examined here. Application of interaction fingerprints to the re-docking process yielded structures with more native interactions, even when a docking pose, obtained following the initial docking process, contained only a small number of native amino acid interactions. Thus, utilization of the profile of interaction fingerprints in the re-docking process yielded more near-native poses.

  7. REQUIREMENTS FOR IMAGE QUALITY OF EMERGENCY SPACECRAFTS

    Directory of Open Access Journals (Sweden)

    A. I. Altukhov

    2015-05-01

    Full Text Available The paper deals with the method for formation of quality requirements to the images of emergency spacecrafts. The images are obtained by means of remote sensing of near-earth space orbital deployment in the visible range. of electromagnetic radiation. The method is based on a joint taking into account conditions of space survey, characteristics of surveillance equipment, main design features of the observed spacecrafts and orbital inspection tasks. Method. Quality score is the predicted linear resolution image that gives the possibility to create a complete view of pictorial properties of the space image obtained by electro-optical system from the observing satellite. Formulation of requirements to the numerical value of this indicator is proposed to perform based on the properties of remote sensing system, forming images in the conditions of outer space, and the properties of the observed emergency spacecraft: dimensions, platform construction of the satellite, on-board equipment placement. For method implementation the authors have developed a predictive model of requirements to a linear resolution for images of emergency spacecrafts, making it possible to select the intervals of space shooting and get the satellite images required for quality interpretation. Main results. To verify the proposed model functionality we have carried out calculations of the numerical values for the linear resolution of the image, ensuring the successful task of determining the gross structural damage of the spacecrafts and identifying changes in their spatial orientation. As input data were used with dimensions and geometric primitives corresponding to the shape of deemed inspected spacecrafts: Resurs-P", "Canopus-B", "Electro-L". Numerical values of the linear resolution images have been obtained, ensuring the successful task solution for determining the gross structural damage of spacecrafts.

  8. No dry dock: safely strategy for avoiding unplanned dry dock and reducing safety, health and environment risks

    Energy Technology Data Exchange (ETDEWEB)

    Constantinis, Danny A.; Brett, David E. [EM and I Alliance, Cheshire (United Kingdom)

    2012-07-01

    There are currently over 150 operational FPUs with an expected increase of a further 100 units in the next 5 years. This results from several factors: increasing demand for hydrocarbons; new reserves in deep water; pipeline infrastructure is not required and FPU design fits many field requirements. FPUs are increasingly chosen for large, deep water, longer life developments. Units are bigger and more complex. Regulators and oil majors are imposing more stringent integrity requirements to protect against safety, environmental and operational risks related to loss of containment and loss of hull structure integrity which could lead to HSE risks, increased costs and production losses which would become particularly onerous should the unit have to dry dock. There are a number of other important components the context of asset integrity, e.g. mooring and sub sea systems, but these are outside the scope of this paper. The 'No Dry dock....Safely' approach is based on the principle of Criticality Based Integrity which identifies components whose integrity is critical to avoiding incidents and the risk of dry docking. Once critical components are identified the challenge is to establish integrity status and maintain fitness-for-service. Various JIPs e.g. the Hull Inspection Techniques and Strategies are looking at best practice inspection methodologies. The industry is progressing ways of maintaining and repairing critical items without going to dry dock. The challenges include coating maintenance, structural and pressure system repairs. Advances in cathodic protection and coating maintenance strategies are proving successful as are techniques for carrying out major structural repairs. The 'No Dry dock...Safely' methodology is a proven solution and case histories have been included. Technological advances will further improve integrity in the industry. There is no reason why FPUs cannot be kept on station and in production for 25 years or more whilst

  9. Modeling the fundamental characteristics and processes of the spacecraft functioning

    Science.gov (United States)

    Bazhenov, V. I.; Osin, M. I.; Zakharov, Y. V.

    1986-01-01

    The fundamental aspects of modeling of spacecraft characteristics by using computing means are considered. Particular attention is devoted to the design studies, the description of physical appearance of the spacecraft, and simulated modeling of spacecraft systems. The fundamental questions of organizing the on-the-ground spacecraft testing and the methods of mathematical modeling were presented.

  10. Automating Trend Analysis for Spacecraft Constellations

    Science.gov (United States)

    Davis, George; Cooter, Miranda; Updike, Clark; Carey, Everett; Mackey, Jennifer; Rykowski, Timothy; Powers, Edward I. (Technical Monitor)

    2001-01-01

    Spacecraft trend analysis is a vital mission operations function performed by satellite controllers and engineers, who perform detailed analyses of engineering telemetry data to diagnose subsystem faults and to detect trends that may potentially lead to degraded subsystem performance or failure in the future. It is this latter function that is of greatest importance, for careful trending can often predict or detect events that may lead to a spacecraft's entry into safe-hold. Early prediction and detection of such events could result in the avoidance of, or rapid return to service from, spacecraft safing, which not only results in reduced recovery costs but also in a higher overall level of service for the satellite system. Contemporary spacecraft trending activities are manually intensive and are primarily performed diagnostically after a fault occurs, rather than proactively to predict its occurrence. They also tend to rely on information systems and software that are oudated when compared to current technologies. When coupled with the fact that flight operations teams often have limited resources, proactive trending opportunities are limited, and detailed trend analysis is often reserved for critical responses to safe holds or other on-orbit events such as maneuvers. While the contemporary trend analysis approach has sufficed for current single-spacecraft operations, it will be unfeasible for NASA's planned and proposed space science constellations. Missions such as the Dynamics, Reconnection and Configuration Observatory (DRACO), for example, are planning to launch as many as 100 'nanospacecraft' to form a homogenous constellation. A simple extrapolation of resources and manpower based on single-spacecraft operations suggests that trending for such a large spacecraft fleet will be unmanageable, unwieldy, and cost-prohibitive. It is therefore imperative that an approach to automating the spacecraft trend analysis function be studied, developed, and applied to

  11. Robust Spacecraft Component Detection in Point Clouds

    Directory of Open Access Journals (Sweden)

    Quanmao Wei

    2018-03-01

    Full Text Available Automatic component detection of spacecraft can assist in on-orbit operation and space situational awareness. Spacecraft are generally composed of solar panels and cuboidal or cylindrical modules. These components can be simply represented by geometric primitives like plane, cuboid and cylinder. Based on this prior, we propose a robust automatic detection scheme to automatically detect such basic components of spacecraft in three-dimensional (3D point clouds. In the proposed scheme, cylinders are first detected in the iteration of the energy-based geometric model fitting and cylinder parameter estimation. Then, planes are detected by Hough transform and further described as bounded patches with their minimum bounding rectangles. Finally, the cuboids are detected with pair-wise geometry relations from the detected patches. After successive detection of cylinders, planar patches and cuboids, a mid-level geometry representation of the spacecraft can be delivered. We tested the proposed component detection scheme on spacecraft 3D point clouds synthesized by computer-aided design (CAD models and those recovered by image-based reconstruction, respectively. Experimental results illustrate that the proposed scheme can detect the basic geometric components effectively and has fine robustness against noise and point distribution density.

  12. Robust Spacecraft Component Detection in Point Clouds.

    Science.gov (United States)

    Wei, Quanmao; Jiang, Zhiguo; Zhang, Haopeng

    2018-03-21

    Automatic component detection of spacecraft can assist in on-orbit operation and space situational awareness. Spacecraft are generally composed of solar panels and cuboidal or cylindrical modules. These components can be simply represented by geometric primitives like plane, cuboid and cylinder. Based on this prior, we propose a robust automatic detection scheme to automatically detect such basic components of spacecraft in three-dimensional (3D) point clouds. In the proposed scheme, cylinders are first detected in the iteration of the energy-based geometric model fitting and cylinder parameter estimation. Then, planes are detected by Hough transform and further described as bounded patches with their minimum bounding rectangles. Finally, the cuboids are detected with pair-wise geometry relations from the detected patches. After successive detection of cylinders, planar patches and cuboids, a mid-level geometry representation of the spacecraft can be delivered. We tested the proposed component detection scheme on spacecraft 3D point clouds synthesized by computer-aided design (CAD) models and those recovered by image-based reconstruction, respectively. Experimental results illustrate that the proposed scheme can detect the basic geometric components effectively and has fine robustness against noise and point distribution density.

  13. Attitude coordination for spacecraft formation with multiple communication delays

    Directory of Open Access Journals (Sweden)

    Guo Yaohua

    2015-04-01

    Full Text Available Communication delays are inherently present in information exchange between spacecraft and have an effect on the control performance of spacecraft formation. In this work, attitude coordination control of spacecraft formation is addressed, which is in the presence of multiple communication delays between spacecraft. Virtual system-based approach is utilized in case that a constant reference attitude is available to only a part of the spacecraft. The feedback from the virtual systems to the spacecraft formation is introduced to maintain the formation. Using backstepping control method, input torque of each spacecraft is designed such that the attitude of each spacecraft converges asymptotically to the states of its corresponding virtual system. Furthermore, the backstepping technique and the Lyapunov–Krasovskii method contribute to the control law design when the reference attitude is time-varying and can be obtained by each spacecraft. Finally, effectiveness of the proposed methodology is illustrated by the numerical simulations of a spacecraft formation.

  14. Guidance and control of swarms of spacecraft

    Science.gov (United States)

    Morgan, Daniel James

    There has been considerable interest in formation flying spacecraft due to their potential to perform certain tasks at a cheaper cost than monolithic spacecraft. Formation flying enables the use of smaller, cheaper spacecraft that distribute the risk of the mission. Recently, the ideas of formation flying have been extended to spacecraft swarms made up of hundreds to thousands of 100-gram-class spacecraft known as femtosatellites. The large number of spacecraft and limited capabilities of each individual spacecraft present a significant challenge in guidance, navigation, and control. This dissertation deals with the guidance and control algorithms required to enable the flight of spacecraft swarms. The algorithms developed in this dissertation are focused on achieving two main goals: swarm keeping and swarm reconfiguration. The objectives of swarm keeping are to maintain bounded relative distances between spacecraft, prevent collisions between spacecraft, and minimize the propellant used by each spacecraft. Swarm reconfiguration requires the transfer of the swarm to a specific shape. Like with swarm keeping, minimizing the propellant used and preventing collisions are the main objectives. Additionally, the algorithms required for swarm keeping and swarm reconfiguration should be decentralized with respect to communication and computation so that they can be implemented on femtosats, which have limited hardware capabilities. The algorithms developed in this dissertation are concerned with swarms located in low Earth orbit. In these orbits, Earth oblateness and atmospheric drag have a significant effect on the relative motion of the swarm. The complicated dynamic environment of low Earth orbits further complicates the swarm-keeping and swarm-reconfiguration problems. To better develop and test these algorithms, a nonlinear, relative dynamic model with J2 and drag perturbations is developed. This model is used throughout this dissertation to validate the algorithms

  15. Developing Sustainable Spacecraft Water Management Systems

    Science.gov (United States)

    Thomas, Evan A.; Klaus, David M.

    2009-01-01

    It is well recognized that water handling systems used in a spacecraft are prone to failure caused by biofouling and mineral scaling, which can clog mechanical systems and degrade the performance of capillary-based technologies. Long duration spaceflight applications, such as extended stays at a Lunar Outpost or during a Mars transit mission, will increasingly benefit from hardware that is generally more robust and operationally sustainable overtime. This paper presents potential design and testing considerations for improving the reliability of water handling technologies for exploration spacecraft. Our application of interest is to devise a spacecraft wastewater management system wherein fouling can be accommodated by design attributes of the management hardware, rather than implementing some means of preventing its occurrence.

  16. Embedded Thermal Control for Spacecraft Subsystems Miniaturization

    Science.gov (United States)

    Didion, Jeffrey R.

    2014-01-01

    Optimization of spacecraft size, weight and power (SWaP) resources is an explicit technical priority at Goddard Space Flight Center. Embedded Thermal Control Subsystems are a promising technology with many cross cutting NSAA, DoD and commercial applications: 1.) CubeSatSmallSat spacecraft architecture, 2.) high performance computing, 3.) On-board spacecraft electronics, 4.) Power electronics and RF arrays. The Embedded Thermal Control Subsystem technology development efforts focus on component, board and enclosure level devices that will ultimately include intelligent capabilities. The presentation will discuss electric, capillary and hybrid based hardware research and development efforts at Goddard Space Flight Center. The Embedded Thermal Control Subsystem development program consists of interrelated sub-initiatives, e.g., chip component level thermal control devices, self-sensing thermal management, advanced manufactured structures. This presentation includes technical status and progress on each of these investigations. Future sub-initiatives, technical milestones and program goals will be presented.

  17. Low power arcjet system spacecraft impacts

    Science.gov (United States)

    Pencil, Eric J.; Sarmiento, Charles J.; Lichtin, D. A.; Palchefsky, J. W.; Bogorad, A. L.

    1993-01-01

    Potential plume contamination of spacecraft surfaces was investigated by positioning spacecraft material samples relative to an arcjet thruster. Samples in the simulated solar array region were exposed to the cold gas arcjet plume for 40 hrs to address concerns about contamination by backstreaming diffusion pump oil. Except for one sample, no significant changes were measured in absorptance and emittance within experimental error. Concerns about surface property degradation due to electrostatic discharges led to the investigation of the discharge phenomenon of charged samples during arcjet ignition. Short duration exposure of charged samples demonstrated that potential differences are consistently and completely eliminated within the first second of exposure to a weakly ionized plume. The spark discharge mechanism was not the discharge phenomenon. The results suggest that the arcjet could act as a charge control device on spacecraft.

  18. Relativistic Spacecraft Propelled by Directed Energy

    Science.gov (United States)

    Kulkarni, Neeraj; Lubin, Philip; Zhang, Qicheng

    2018-04-01

    Achieving relativistic flight to enable extrasolar exploration is one of the dreams of humanity and the long-term goal of our NASA Starlight program. We derive a relativistic solution for the motion of a spacecraft propelled by radiation pressure from a directed energy (DE) system. Depending on the system parameters, low-mass spacecraft can achieve relativistic speeds, thus enabling interstellar exploration. The diffraction of the DE system plays an important role and limits the maximum speed of the spacecraft. We consider “photon recycling” as a possible method to achieving higher speeds. We also discuss recent claims that our previous work on this topic is incorrect and show that these claims arise from an improper treatment of causality.

  19. Numerical Analysis of Magnetic Sail Spacecraft

    International Nuclear Information System (INIS)

    Sasaki, Daisuke; Yamakawa, Hiroshi; Usui, Hideyuki; Funaki, Ikkoh; Kojima, Hirotsugu

    2008-01-01

    To capture the kinetic energy of the solar wind by creating a large magnetosphere around the spacecraft, magneto-plasma sail injects a plasma jet into a strong magnetic field produced by an electromagnet onboard the spacecraft. The aim of this paper is to investigate the effect of the IMF (interplanetary magnetic field) on the magnetosphere of magneto-plasma sail. First, using an axi-symmetric two-dimensional MHD code, we numerically confirm the magnetic field inflation, and the formation of a magnetosphere by the interaction between the solar wind and the magnetic field. The expansion of an artificial magnetosphere by the plasma injection is then simulated, and we show that the magnetosphere is formed by the interaction between the solar wind and the magnetic field expanded by the plasma jet from the spacecraft. This simulation indicates the size of the artificial magnetosphere becomes smaller when applying the IMF.

  20. Autonomous Spacecraft Communication Interface for Load Planning

    Science.gov (United States)

    Dever, Timothy P.; May, Ryan D.; Morris, Paul H.

    2014-01-01

    Ground-based controllers can remain in continuous communication with spacecraft in low Earth orbit (LEO) with near-instantaneous communication speeds. This permits near real-time control of all of the core spacecraft systems by ground personnel. However, as NASA missions move beyond LEO, light-time communication delay issues, such as time lag and low bandwidth, will prohibit this type of operation. As missions become more distant, autonomous control of manned spacecraft will be required. The focus of this paper is the power subsystem. For present missions, controllers on the ground develop a complete schedule of power usage for all spacecraft components. This paper presents work currently underway at NASA to develop an architecture for an autonomous spacecraft, and focuses on the development of communication between the Mission Manager and the Autonomous Power Controller. These two systems must work together in order to plan future load use and respond to unanticipated plan deviations. Using a nominal spacecraft architecture and prototype versions of these two key components, a number of simulations are run under a variety of operational conditions, enabling development of content and format of the messages necessary to achieve the desired goals. The goals include negotiation of a load schedule that meets the global requirements (contained in the Mission Manager) and local power system requirements (contained in the Autonomous Power Controller), and communication of off-plan disturbances that arise while executing a negotiated plan. The message content is developed in two steps: first, a set of rapid-prototyping "paper" simulations are preformed; then the resultant optimized messages are codified for computer communication for use in automated testing.

  1. Pose Self-Measurement of Noncooperative Spacecraft Based on Solar Panel Triangle Structure

    Directory of Open Access Journals (Sweden)

    Jingzhou Song

    2015-01-01

    Full Text Available Aiming at the recognition and location of noncooperative spacecraft, this paper presents a monocular vision pose measurement method based on solar triangle structure. First of all, an autonomous recognition algorithm of feature structure based on sliding window Hough transformation (SWHT and inscribed circle of a triangle is proposed, and the image coordinates of feature points on the triangle can be obtained relying on this algorithm, combined with the P4P algorithm and the structure of spacecraft, calculating the relative pose of target expressed by rotation and translation matrix. The whole algorithm can be loaded into the prewritten onboard program, which will get the autocomplete feature structure extraction and relative pose measurement without human intervention, and this method does not need to mount any markers on the target. Then compare the measured values with the accurate value of the laser tracker, so that a conclusion can be drawn that the maximum position error is lower than 5% and the rotation error is lower than 4%, which meets the requirements of noncooperative spacecraft’s pose measurement for observations, tracking, and docking in the final rendezvous phase.

  2. Testing programs for the Multimission Modular Spacecraft

    Science.gov (United States)

    Greenwell, T. J.

    1978-01-01

    The Multimission Modular Spacecraft (MMS) provides a standard spacecraft bus to a user for a variety of space missions ranging from near-earth to synchronous orbits. The present paper describes the philosophy behind the MMS module test program and discusses the implementation of the test program. It is concluded that the MMS module test program provides an effective and comprehensive customer buy-off at the subsystem contractor's plant, is an optimum approach for checkout of the subsystems prior to use for on-orbit servicing in the Shuttle Cargo Bay, and is a cost-effective technique for environmental testing.

  3. Robust Parametric Control of Spacecraft Rendezvous

    Directory of Open Access Journals (Sweden)

    Dake Gu

    2014-01-01

    Full Text Available This paper proposes a method to design the robust parametric control for autonomous rendezvous of spacecrafts with the inertial information with uncertainty. We consider model uncertainty of traditional C-W equation to formulate the dynamic model of the relative motion. Based on eigenstructure assignment and model reference theory, a concise control law for spacecraft rendezvous is proposed which could be fixed through solving an optimization problem. The cost function considers the stabilization of the system and other performances. Simulation results illustrate the robustness and effectiveness of the proposed control.

  4. Spacecraft charging: incoming and outgoing electrons

    CERN Document Server

    Lai, Shu T.

    2013-04-22

    This paper presents an overview of the roles played by incoming and outgoing electrons in spacecraft surface and stresses the importance of surface conditions for spacecraft charging. The balance between the incoming electron current from the ambient plasma and the outgoing currents of secondary electrons, backscattered electrons, and photoelectrons from the surfaces determines the surface potential. Since surface conditions significantly affect the outgoing currents, the critical temperature and the surface potential are also significantly affected. As a corollary, high level differential charging of adjacent surfaces with very different surface conditions is a space hazard.

  5. Event-triggered attitude control of spacecraft

    Science.gov (United States)

    Wu, Baolin; Shen, Qiang; Cao, Xibin

    2018-02-01

    The problem of spacecraft attitude stabilization control system with limited communication and external disturbances is investigated based on an event-triggered control scheme. In the proposed scheme, information of attitude and control torque only need to be transmitted at some discrete triggered times when a defined measurement error exceeds a state-dependent threshold. The proposed control scheme not only guarantees that spacecraft attitude control errors converge toward a small invariant set containing the origin, but also ensures that there is no accumulation of triggering instants. The performance of the proposed control scheme is demonstrated through numerical simulation.

  6. The spacecraft encounters of Comet Halley

    Science.gov (United States)

    Asoka Mendis, D.; Tsurutani, Bruce T.

    1986-01-01

    The characteristics of the Comet Halley spacecraft 'fleet' (VEGA 1 and VEGA 2, Giotto, Suisei, and Sakigake) are presented. The major aims of these missions were (1) to discover and characterize the nucleus, (2) to characterize the atmosphere and ionosphere, (3) to characterize the dust, and (4) to characterize the nature of the large-scale comet-solar wind interaction. While the VEGA and Giotto missions were designed to study all four areas, Suisei addressed the second and fourth. Sakigake was designed to study the solar wind conditions upstream of the comet. It is noted that NASA's Deep Space Network played an important role in spacecraft tracking.

  7. Sensor-based automated docking of large waste canisters

    International Nuclear Information System (INIS)

    Drotning, W.D.

    1990-01-01

    Sensor-based programmable robots have the potential to speed up remote manipulation operations while protecting operators from exposure to radiation. Conventional master/slave manipulators have proven to be very slow in performing precision remote operations. In addition, inadvertent collisions of remotely manipulated objects with their environment increase the hazards associated with remote handling. This paper describes the development of a robotic system for the sensor-based automated remote manipulation and precision docking of large payloads. Computer vision and proximity sensing are used to control the precision docking of a large object with a passive target cavity. Specifically, a container of nuclear spent fuel on a transport vehicle is mated with an emplacement door on a vertical storage borehole at a waste repository

  8. PEPSI-Dock: a detailed data-driven protein–protein interaction potential accelerated by polar Fourier correlation

    OpenAIRE

    Neveu , Emilie; Ritchie , David; Popov , Petr; Grudinin , Sergei

    2016-01-01

    International audience; Motivation: Docking prediction algorithms aim to find the native conformation of a complex of proteins from knowledge of their unbound structures. They rely on a combination of sampling and scoring methods, adapted to different scales. Polynomial Expansion of Protein Structures and Interactions for Docking (PEPSI-Dock) improves the accuracy of the first stage of the docking pipeline , which will sharpen up the final predictions. Indeed, PEPSI-Dock benefits from the pre...

  9. Transcriptional Dysregulation of MYC Reveals Common Enhancer-Docking Mechanism.

    Science.gov (United States)

    Schuijers, Jurian; Manteiga, John Colonnese; Weintraub, Abraham Selby; Day, Daniel Sindt; Zamudio, Alicia Viridiana; Hnisz, Denes; Lee, Tong Ihn; Young, Richard Allen

    2018-04-10

    Transcriptional dysregulation of the MYC oncogene is among the most frequent events in aggressive tumor cells, and this is generally accomplished by acquisition of a super-enhancer somewhere within the 2.8 Mb TAD where MYC resides. We find that these diverse cancer-specific super-enhancers, differing in size and location, interact with the MYC gene through a common and conserved CTCF binding site located 2 kb upstream of the MYC promoter. Genetic perturbation of this enhancer-docking site in tumor cells reduces CTCF binding, super-enhancer interaction, MYC gene expression, and cell proliferation. CTCF binding is highly sensitive to DNA methylation, and this enhancer-docking site, which is hypomethylated in diverse cancers, can be inactivated through epigenetic editing with dCas9-DNMT. Similar enhancer-docking sites occur at other genes, including genes with prominent roles in multiple cancers, suggesting a mechanism by which tumor cell oncogenes can generally hijack enhancers. These results provide insights into mechanisms that allow a single target gene to be regulated by diverse enhancer elements in different cell types. Copyright © 2018 The Author(s). Published by Elsevier Inc. All rights reserved.

  10. Cellulase enzyme: Homology modeling, binding site identification and molecular docking

    Science.gov (United States)

    Selvam, K.; Senbagam, D.; Selvankumar, T.; Sudhakar, C.; Kamala-Kannan, S.; Senthilkumar, B.; Govarthanan, M.

    2017-12-01

    Cellulase is an enzyme that degrades the linear polysaccharide like cellulose into glucose by breaking the β-1,4- glycosidic bonds. These enzymes are the third largest enzymes with a great potential towards the ethanol production and play a vital role in degrading the biomass. The production of ethanol depends upon the ability of the cellulose to utilize the wide range of substrates. In this study, the 3D structure of cellulase from Acinetobacter sp. was modeled by using Modeler 9v9 and validated by Ramachandran plot. The accuracy of the predicted 3D structure was checked using Ramachandran plot analysis showed that 81.1% in the favored region, compatibility of an atomic model (3D) with amino acid sequence (1D) for the model was observed as 78.21% and 49.395% for Verify 3D and ERRAT at SAVES server. As the binding efficacy with the substrate might suggests the choice of the substrate as carbon and nitrogen sources, the cellobiose, cellotetraose, cellotetriose and laminaribiose were employed in the docking studies. The docking of cellobiose, cellotetraose, cellotetriose and laminaribiose with cellulase exhibited the binding energy of -6.1523 kJ/mol, -7.8759 kJ/mol,-6.1590 kJ/mol and -6.7185 kJ/mol, respectively. These docking studies revealed that cellulase has the greater potential towards the cellotetraose as a substrate for the high yield of ethanol.

  11. Rigid Body Energy Minimization on Manifolds for Molecular Docking.

    Science.gov (United States)

    Mirzaei, Hanieh; Beglov, Dmitri; Paschalidis, Ioannis Ch; Vajda, Sandor; Vakili, Pirooz; Kozakov, Dima

    2012-11-13

    Virtually all docking methods include some local continuous minimization of an energy/scoring function in order to remove steric clashes and obtain more reliable energy values. In this paper, we describe an efficient rigid-body optimization algorithm that, compared to the most widely used algorithms, converges approximately an order of magnitude faster to conformations with equal or slightly lower energy. The space of rigid body transformations is a nonlinear manifold, namely, a space which locally resembles a Euclidean space. We use a canonical parametrization of the manifold, called the exponential parametrization, to map the Euclidean tangent space of the manifold onto the manifold itself. Thus, we locally transform the rigid body optimization to an optimization over a Euclidean space where basic optimization algorithms are applicable. Compared to commonly used methods, this formulation substantially reduces the dimension of the search space. As a result, it requires far fewer costly function and gradient evaluations and leads to a more efficient algorithm. We have selected the LBFGS quasi-Newton method for local optimization since it uses only gradient information to obtain second order information about the energy function and avoids the far more costly direct Hessian evaluations. Two applications, one in protein-protein docking, and the other in protein-small molecular interactions, as part of macromolecular docking protocols are presented. The code is available to the community under open source license, and with minimal effort can be incorporated into any molecular modeling package.

  12. An autonomous rendezvous and docking system using cruise missile technologies

    Science.gov (United States)

    Jones, Ruel Edwin

    1991-01-01

    In November 1990 the Autonomous Rendezvous & Docking (AR&D) system was first demonstrated for members of NASA's Strategic Avionics Technology Working Group. This simulation utilized prototype hardware from the Cruise Missile and Advanced Centaur Avionics systems. The object was to show that all the accuracy, reliability and operational requirements established for a space craft to dock with Space Station Freedom could be met by the proposed system. The rapid prototyping capabilities of the Advanced Avionics Systems Development Laboratory were used to evaluate the proposed system in a real time, hardware in the loop simulation of the rendezvous and docking reference mission. The simulation permits manual, supervised automatic and fully autonomous operations to be evaluated. It is also being upgraded to be able to test an Autonomous Approach and Landing (AA&L) system. The AA&L and AR&D systems are very similar. Both use inertial guidance and control systems supplemented by GPS. Both use an Image Processing System (IPS), for target recognition and tracking. The IPS includes a general purpose multiprocessor computer and a selected suite of sensors that will provide the required relative position and orientation data. Graphic displays can also be generated by the computer, providing the astronaut / operator with real-time guidance and navigation data with enhanced video or sensor imagery.

  13. DOCK8 is critical for the survival and function of NKT cells.

    Science.gov (United States)

    Crawford, Greg; Enders, Anselm; Gileadi, Uzi; Stankovic, Sanda; Zhang, Qian; Lambe, Teresa; Crockford, Tanya L; Lockstone, Helen E; Freeman, Alexandra; Arkwright, Peter D; Smart, Joanne M; Ma, Cindy S; Tangye, Stuart G; Goodnow, Christopher C; Cerundolo, Vincenzo; Godfrey, Dale I; Su, Helen C; Randall, Katrina L; Cornall, Richard J

    2013-09-19

    Patients with the dedicator of cytokinesis 8 (DOCK8) immunodeficiency syndrome suffer from recurrent viral and bacterial infections, hyper-immunoglobulin E levels, eczema, and greater susceptibility to cancer. Because natural killer T (NKT) cells have been implicated in these diseases, we asked if these cells were affected by DOCK8 deficiency. Using a mouse model, we found that DOCK8 deficiency resulted in impaired NKT cell development, principally affecting the formation and survival of long-lived, differentiated NKT cells. In the thymus, DOCK8-deficient mice lack a terminally differentiated subset of NK1.1(+) NKT cells expressing the integrin CD103, whereas in the liver, DOCK8-deficient NKT cells express reduced levels of the prosurvival factor B-cell lymphoma 2 and the integrin lymphocyte function-associated antigen 1. Although the initial NKT cell response to antigen is intact in the absence of DOCK8, their ongoing proliferative and cytokine responses are impaired. Importantly, a similar defect in NKT cell numbers was detected in DOCK8-deficient humans, highlighting the relevance of the mouse model. In conclusion, our data demonstrate that DOCK8 is required for the development and survival of mature NKT cells, consistent with the idea that DOCK8 mediates survival signals within a specialized niche. Accordingly, impaired NKT cell numbers and function are likely to contribute to the susceptibility of DOCK8-deficient patients to recurrent infections and malignant disease.

  14. DOCK8 is critical for the survival and function of NKT cells

    Science.gov (United States)

    Crawford, Greg; Enders, Anselm; Gileadi, Uzi; Stankovic, Sanda; Zhang, Qian; Lambe, Teresa; Crockford, Tanya L.; Lockstone, Helen E.; Freeman, Alexandra; Arkwright, Peter D.; Smart, Joanne M.; Ma, Cindy S.; Tangye, Stuart G.; Goodnow, Christopher C.; Cerundolo, Vincenzo; Godfrey, Dale I.; Su, Helen C.; Randall, Katrina L.

    2013-01-01

    Patients with the dedicator of cytokinesis 8 (DOCK8) immunodeficiency syndrome suffer from recurrent viral and bacterial infections, hyper–immunoglobulin E levels, eczema, and greater susceptibility to cancer. Because natural killer T (NKT) cells have been implicated in these diseases, we asked if these cells were affected by DOCK8 deficiency. Using a mouse model, we found that DOCK8 deficiency resulted in impaired NKT cell development, principally affecting the formation and survival of long-lived, differentiated NKT cells. In the thymus, DOCK8-deficient mice lack a terminally differentiated subset of NK1.1+ NKT cells expressing the integrin CD103, whereas in the liver, DOCK8-deficient NKT cells express reduced levels of the prosurvival factor B-cell lymphoma 2 and the integrin lymphocyte function-associated antigen 1. Although the initial NKT cell response to antigen is intact in the absence of DOCK8, their ongoing proliferative and cytokine responses are impaired. Importantly, a similar defect in NKT cell numbers was detected in DOCK8-deficient humans, highlighting the relevance of the mouse model. In conclusion, our data demonstrate that DOCK8 is required for the development and survival of mature NKT cells, consistent with the idea that DOCK8 mediates survival signals within a specialized niche. Accordingly, impaired NKT cell numbers and function are likely to contribute to the susceptibility of DOCK8-deficient patients to recurrent infections and malignant disease. PMID:23929855

  15. A New Approach for Flexible Molecular Docking Based on Swarm Intelligence

    Directory of Open Access Journals (Sweden)

    Yi Fu

    2015-01-01

    Full Text Available Molecular docking methods play an important role in the field of computer-aided drug design. In the work, on the basis of the molecular docking program AutoDock, we present QLDock as a tool for flexible molecular docking. For the energy evaluation, the algorithm uses the binding free energy function that is provided by the AutoDock 4.2 tool. The new search algorithm combines the features of a quantum-behaved particle swarm optimization (QPSO algorithm and local search method of Solis and Wets for solving the highly flexible protein-ligand docking problem. We compute the interaction of 23 protein-ligand complexes and compare the results with those of the QDock and AutoDock programs. The experimental results show that our approach leads to substantially lower docking energy and higher docking precision in comparison to Lamarckian genetic algorithm and QPSO algorithm alone. QPSO-ls algorithm was able to identify the correct binding mode of 74% of the complexes. In comparison, the accuracy of QPSO and LGA is 52% and 61%, respectively. This difference in performance rises with increasing complexity of the ligand. Thus, the novel algorithm QPSO-ls may be used to dock ligand with many rotatable bonds with high accuracy.

  16. Software for Engineering Simulations of a Spacecraft

    Science.gov (United States)

    Shireman, Kirk; McSwain, Gene; McCormick, Bernell; Fardelos, Panayiotis

    2005-01-01

    Spacecraft Engineering Simulation II (SES II) is a C-language computer program for simulating diverse aspects of operation of a spacecraft characterized by either three or six degrees of freedom. A functional model in SES can include a trajectory flight plan; a submodel of a flight computer running navigational and flight-control software; and submodels of the environment, the dynamics of the spacecraft, and sensor inputs and outputs. SES II features a modular, object-oriented programming style. SES II supports event-based simulations, which, in turn, create an easily adaptable simulation environment in which many different types of trajectories can be simulated by use of the same software. The simulation output consists largely of flight data. SES II can be used to perform optimization and Monte Carlo dispersion simulations. It can also be used to perform simulations for multiple spacecraft. In addition to its generic simulation capabilities, SES offers special capabilities for space-shuttle simulations: for this purpose, it incorporates submodels of the space-shuttle dynamics and a C-language version of the guidance, navigation, and control components of the space-shuttle flight software.

  17. How Spacecraft Fly Spaceflight Without Formulae

    CERN Document Server

    Swinerd, Graham

    2009-01-01

    About half a century ago a small satellite, Sputnik 1, was launched. The satellite did very little other than to transmit a radio signal to announce its presence in orbit. However, this humble beginning heralded the dawn of the Space Age. Today literally thousands of robotic spacecraft have been launched, many of which have flown to far-flung regions of the Solar System carrying with them the human spirit of scientific discovery and exploration. Numerous other satellites have been launched in orbit around the Earth providing services that support our technological society on the ground. How Spacecraft Fly: Spaceflight Without Formulae by Graham Swinerd focuses on how these spacecraft work. The book opens with a historical perspective of how we have come to understand our Solar System and the Universe. It then progresses through orbital flight, rocket science, the hostile environment within which spacecraft operate, and how they are designed. The concluding chapters give a glimpse of what the 21st century may ...

  18. Microgravity Flammability Experiments for Spacecraft Fire Safety

    DEFF Research Database (Denmark)

    Legros, Guillaume; Minster, Olivier; Tóth, Balazs

    2012-01-01

    As fire behaviour in manned spacecraft still remains poorly understood, an international topical team has been created to design a validation experiment that has an unprecedented large scale for a microgravity flammability experiment. While the validation experiment is being designed for a re-sup...

  19. Parameter Estimation of Spacecraft Fuel Slosh Model

    Science.gov (United States)

    Gangadharan, Sathya; Sudermann, James; Marlowe, Andrea; Njengam Charles

    2004-01-01

    Fuel slosh in the upper stages of a spinning spacecraft during launch has been a long standing concern for the success of a space mission. Energy loss through the movement of the liquid fuel in the fuel tank affects the gyroscopic stability of the spacecraft and leads to nutation (wobble) which can cause devastating control issues. The rate at which nutation develops (defined by Nutation Time Constant (NTC can be tedious to calculate and largely inaccurate if done during the early stages of spacecraft design. Pure analytical means of predicting the influence of onboard liquids have generally failed. A strong need exists to identify and model the conditions of resonance between nutation motion and liquid modes and to understand the general characteristics of the liquid motion that causes the problem in spinning spacecraft. A 3-D computerized model of the fuel slosh that accounts for any resonant modes found in the experimental testing will allow for increased accuracy in the overall modeling process. Development of a more accurate model of the fuel slosh currently lies in a more generalized 3-D computerized model incorporating masses, springs and dampers. Parameters describing the model include the inertia tensor of the fuel, spring constants, and damper coefficients. Refinement and understanding the effects of these parameters allow for a more accurate simulation of fuel slosh. The current research will focus on developing models of different complexity and estimating the model parameters that will ultimately provide a more realistic prediction of Nutation Time Constant obtained through simulation.

  20. Spacecraft 3D Augmented Reality Mobile App

    Science.gov (United States)

    Hussey, Kevin J.; Doronila, Paul R.; Kumanchik, Brian E.; Chan, Evan G.; Ellison, Douglas J.; Boeck, Andrea; Moore, Justin M.

    2013-01-01

    The Spacecraft 3D application allows users to learn about and interact with iconic NASA missions in a new and immersive way using common mobile devices. Using Augmented Reality (AR) techniques to project 3D renditions of the mission spacecraft into real-world surroundings, users can interact with and learn about Curiosity, GRAIL, Cassini, and Voyager. Additional updates on future missions, animations, and information will be ongoing. Using a printed AR Target and camera on a mobile device, users can get up close with these robotic explorers, see how some move, and learn about these engineering feats, which are used to expand knowledge and understanding about space. The software receives input from the mobile device's camera to recognize the presence of an AR marker in the camera's field of view. It then displays a 3D rendition of the selected spacecraft in the user's physical surroundings, on the mobile device's screen, while it tracks the device's movement in relation to the physical position of the spacecraft's 3D image on the AR marker.

  1. Special Semaphore Scheme for UHF Spacecraft Communications

    Science.gov (United States)

    Butman, Stanley; Satorius, Edgar; Ilott, Peter

    2006-01-01

    A semaphore scheme has been devised to satisfy a requirement to enable ultrahigh- frequency (UHF) radio communication between a spacecraft descending from orbit to a landing on Mars and a spacecraft, in orbit about Mars, that relays communications between Earth and the lander spacecraft. There are also two subsidiary requirements: (1) to use UHF transceivers, built and qualified for operation aboard the spacecraft that operate with residual-carrier binary phase-shift-keying (BPSK) modulation at a selectable data rate of 8, 32, 128, or 256 kb/s; and (2) to enable low-rate signaling even when received signals become so weak as to prevent communication at the minimum BPSK rate of 8 kHz. The scheme involves exploitation of Manchester encoding, which is used in conjunction with residual-carrier modulation to aid the carrier-tracking loop. By choosing various sequences of 1s, 0s, or 1s alternating with 0s to be fed to the residual-carrier modulator, one would cause the modulator to generate sidebands at a fundamental frequency of 4 or 8 kHz and harmonics thereof. These sidebands would constitute the desired semaphores. In reception, the semaphores would be detected by a software demodulator.

  2. Accelerated life testing of spacecraft subsystems

    Science.gov (United States)

    Wiksten, D.; Swanson, J.

    1972-01-01

    The rationale and requirements for conducting accelerated life tests on electronic subsystems of spacecraft are presented. A method for applying data on the reliability and temperature sensitivity of the parts contained in a sybsystem to the selection of accelerated life test parameters is described. Additional considerations affecting the formulation of test requirements are identified, and practical limitations of accelerated aging are described.

  3. Rotational Motion Control of a Spacecraft

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Kulczycki, P.

    2001-01-01

    The paper adopts the energy shaping method to control of rotational motion. A global representation of the rigid body motion is given in the canonical form by a quaternion and its conjugate momenta. A general method for motion control on a cotangent bundle to the 3-sphere is suggested. The design...... algorithm is validated for three-axis spacecraft attitude control...

  4. Rotational motion control of a spacecraft

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Kulczycki, P.

    2003-01-01

    The paper adopts the energy shaping method to control of rotational motion. A global representation of the rigid body motion is given in the canonical form by a quaternion and its conjugate momenta. A general method for motion control on a cotangent bundle to the 3-sphere is suggested. The design...... algorithm is validated for three-axis spacecraft attitude control. Udgivelsesdato: APR...

  5. Small Spacecraft Technology Initiative Education Program

    Science.gov (United States)

    1995-01-01

    A NASA engineer with the Commercial Remote Sensing Program (CRSP) at Stennis Space Center works with students from W.P. Daniels High School in New Albany, Miss., through NASA's Small Spacecraft Technology Initiative Program. CRSP is teaching students to use remote sensing to locate a potential site for a water reservoir to offset a predicted water shortage in the community's future.

  6. Spacecraft Attitude Control in Hamiltonian Framework

    DEFF Research Database (Denmark)

    Wisniewski, Rafal

    2000-01-01

    The objective of this paper is to give a design scheme for attitude control algorithms of a generic spacecraft. Along with the system model formulated in the Hamilton's canonical form the algorithm uses information about a required potential energy and a dissipative term. The control action...

  7. Streamlined Modeling for Characterizing Spacecraft Anomalous Behavior

    Science.gov (United States)

    Klem, B.; Swann, D.

    2011-09-01

    Anomalous behavior of on-orbit spacecraft can often be detected using passive, remote sensors which measure electro-optical signatures that vary in time and spectral content. Analysts responsible for assessing spacecraft operational status and detecting detrimental anomalies using non-resolved imaging sensors are often presented with various sensing and identification issues. Modeling and measuring spacecraft self emission and reflected radiant intensity when the radiation patterns exhibit a time varying reflective glint superimposed on an underlying diffuse signal contribute to assessment of spacecraft behavior in two ways: (1) providing information on body component orientation and attitude; and, (2) detecting changes in surface material properties due to the space environment. Simple convex and cube-shaped spacecraft, designed to operate without protruding solar panel appendages, may require an enhanced level of preflight characterization to support interpretation of the various physical effects observed during on-orbit monitoring. This paper describes selected portions of the signature database generated using streamlined signature modeling and simulations of basic geometry shapes apparent to non-imaging sensors. With this database, summarization of key observable features for such shapes as spheres, cylinders, flat plates, cones, and cubes in specific spectral bands that include the visible, mid wave, and long wave infrared provide the analyst with input to the decision process algorithms contained in the overall sensing and identification architectures. The models typically utilize baseline materials such as Kapton, paints, aluminum surface end plates, and radiators, along with solar cell representations covering the cylindrical and side portions of the spacecraft. Multiple space and ground-based sensors are assumed to be located at key locations to describe the comprehensive multi-viewing aspect scenarios that can result in significant specular reflection

  8. On the spacecraft attitude stabilization in the orbital frame

    Directory of Open Access Journals (Sweden)

    Antipov Kirill A.

    2012-01-01

    Full Text Available The paper deals with spacecraft in the circular near-Earth orbit. The spacecraft interacts with geomagnetic field by the moments of Lorentz and magnetic forces. The octupole approximation of the Earth’s magnetic field is accepted. The spacecraft electromagnetic parameters, namely the electrostatic charge moment of the first order and the eigen magnetic moment are the controlled quasiperiodic functions. The control algorithms for the spacecraft electromagnetic parameters, which allows to stabilize the spacecraft attitude position in the orbital frame are obtained. The stability of the spacecraft stabilized orientation is proved both analytically and by PC computations.

  9. Application of Space Environmental Observations to Spacecraft Pre-Launch Engineering and Spacecraft Operations

    Science.gov (United States)

    Barth, Janet L.; Xapsos, Michael

    2008-01-01

    This presentation focuses on the effects of the space environment on spacecraft systems and applying this knowledge to spacecraft pre-launch engineering and operations. Particle radiation, neutral gas particles, ultraviolet and x-rays, as well as micrometeoroids and orbital debris in the space environment have various effects on spacecraft systems, including degradation of microelectronic and optical components, physical damage, orbital decay, biasing of instrument readings, and system shutdowns. Space climate and weather must be considered during the mission life cycle (mission concept, mission planning, systems design, and launch and operations) to minimize and manage risk to both the spacecraft and its systems. A space environment model for use in the mission life cycle is presented.

  10. Molecular docking for thrombolytic activity of some isolated compounds from Clausena lansium.

    Directory of Open Access Journals (Sweden)

    Arkajyoti Paul

    2017-03-01

    Full Text Available Clausena lansium (Family- Rutaceae is commonly known as wampee, is found in fallow lands throughout Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Clausena lansium, namely Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid and Xanthotoxol for searching of lead molecule for thrombolytic activity. A wide range of docking score found during molecular docking by Schrodinger. Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol showed the docking score -6.926, -4.041, -4.889 , -4.356, -3.007 and -5.816 respectively. Among all the compounds Clausemarin B showed the best docking score. So, Clausemarin B is the best compounds for thrombolytic activity, as it possessed the best value in Molecular docking. Further in vivo investigation need to identify the thrombolytic activity of isolated compounds from Clausena lansium.

  11. Biallelic loss-of-function variants in DOCK3 cause muscle hypotonia, ataxia, and intellectual disability.

    Science.gov (United States)

    Helbig, K L; Mroske, C; Moorthy, D; Sajan, S A; Velinov, M

    2017-10-01

    DOCK3 encodes the dedicator of cytokinesis 3 protein, a member of the DOCK180 family of proteins that are characterized by guanine-nucleotide exchange factor activity. DOCK3 is expressed exclusively in the central nervous system and plays an important role in axonal outgrowth and cytoskeleton reorganization. Dock3 knockout mice exhibit motor deficiencies with abnormal ataxic gait and impaired learning. We report 2 siblings with biallelic loss-of-function variants in DOCK3. Diagnostic whole-exome sequencing (WES) and chromosomal microarray were performed on a proband with severe developmental disability, hypotonia, and ataxic gait. Testing was also performed on the proband's similarly affected brother. A paternally inherited 458 kb deletion in chromosomal region 3p21.2 disrupting the DOCK3 gene was identified in both affected siblings. WES identified a nonsense variant c.382C>G (p.Gln128*) in the DOCK3 gene (NM_004947) on the maternal allele in both siblings. Common features in both affected individuals include severe developmental disability, ataxic gait, and severe hypotonia, which recapitulates the Dock3 knockout mouse phenotype. We show that complete DOCK3 deficiency in humans leads to developmental disability with significant hypotonia and gait ataxia, probably due to abnormal axonal development. © 2017 The Authors. Clinical Genetics published by John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  12. Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2

    Science.gov (United States)

    Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano

    2018-01-01

    Molecular docking is a powerful tool in the field of computer-aided molecular design. In particular, it is the technique of choice for the prediction of a ligand pose within its target binding site. A multitude of docking methods is available nowadays, whose performance may vary depending on the data set. Therefore, some non-trivial choices should be made before starting a docking simulation. In the same framework, the selection of the target structure to use could be challenging, since the number of available experimental structures is increasing. Both issues have been explored within this work. The pose prediction of a pool of 36 compounds provided by D3R Grand Challenge 2 organizers was preceded by a pipeline to choose the best protein/docking-method couple for each blind ligand. An integrated benchmark approach including ligand shape comparison and cross-docking evaluations was implemented inside our DockBench software. The results are encouraging and show that bringing attention to the choice of the docking simulation fundamental components improves the results of the binding mode predictions.

  13. DOD Recovery personnel and NASA technicians inspect Friendship 7 spacecraft

    Science.gov (United States)

    1964-01-01

    Department of Defense Recovery personnel and spacecraft technicians from NASA adn McDonnell Aircraft Corp., inspect Astronaut John Glenn's Mercury spacecraft, Friendship 7, following its return to Cape Canaveral after recovery in the Atlantic Ocean.

  14. High-Performance Fire Detector for Spacecraft, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The danger from fire aboard spacecraft is immediate with only moments for detection and suppression. Spacecraft are unique high-value systems where the cost of...

  15. Space tribology: its role in spacecraft mechanisms

    International Nuclear Information System (INIS)

    Roberts, E W

    2012-01-01

    The subject of tribology encompasses the friction, wear and lubrication of mechanical components such as bearings and gears. Tribological practices are aimed at ensuring that such components operate with high efficiency (low friction) and achieve long lives. On spacecraft mechanisms the route to achieving these goals brings its own unique challenges. This review describes the problems posed by the space environment, the types of tribological component used on spacecraft and the approaches taken to their lubrication. It is shown that in many instances lubrication needs can be met by synthetic oils having exceedingly low volatilities, but that at temperature extremes the only means of reducing friction and wear is by solid lubrication. As the demands placed on space engineering increase, innovatory approaches will be needed to solve future tribological problems. The direction that future developments might take is anticipated and discussed.

  16. MIDN: A spacecraft Micro-dosimeter mission

    International Nuclear Information System (INIS)

    Pisacane, V. L.; Ziegler, J. F.; Nelson, M. E.; Caylor, M.; Flake, D.; Heyen, L.; Youngborg, E.; Rosenfeld, A. B.; Cucinotta, F.; Zaider, M.; Dicello, J. F.

    2006-01-01

    MIDN (Micro-dosimetry instrument) is a payload on the MidSTAR-I spacecraft (Midshipman Space Technology Applications Research) under development at the United States Naval Academy. MIDN is a solid-state system being designed and constructed to measure Micro-dosimetric spectra to determine radiation quality factors for space environments. Radiation is a critical threat to the health of astronauts and to the success of missions in low-Earth orbit and space exploration. The system will consist of three separate sensors, one external to the spacecraft, one internal and one embedded in polyethylene. Design goals are mass <3 kg and power <2 W. The MidSTAR-I mission in 2006 will provide an opportunity to evaluate a preliminary version of this system. Its low power and mass makes it useful for the International Space Station and manned and unmanned interplanetary missions as a real-time system to assess and alert astronauts to enhanced radiation environments. (authors)

  17. Galileo spacecraft power management and distribution system

    International Nuclear Information System (INIS)

    Detwiler, R.C.; Smith, R.L.

    1990-01-01

    It has been twelve years since two Voyager spacecraft began the direct route to the outer planets. In October 1989 a single Galileo spacecraft started the return to Jupiter. Conceived as a simple Voyager look-alike, the Galileo power management and distribution (PMAD) system has undergone many iterations in configuration. Major changes to the PMAD resulted from dual spun slip ring limitations, variations in launch vehicle thrust capabilities, and launch delays. Lack of an adequate launch vehicle for an interplanetary mission of Galileo's size has resulted in an extremely long flight duration. A Venus-Earth-Earth Gravity Assist (VEEGA) tour, vital to attain the required energy, results in a 6 year trip to Jupiter and its moons. This paper provides a description of the Galileo PMAD and documents the design drivers that established the final as-built hardware

  18. Improved techniques for predicting spacecraft power

    International Nuclear Information System (INIS)

    Chmielewski, A.B.

    1987-01-01

    Radioisotope Thermoelectric Generators (RTGs) are going to supply power for the NASA Galileo and Ulysses spacecraft now scheduled to be launched in 1989 and 1990. The duration of the Galileo mission is expected to be over 8 years. This brings the total RTG lifetime to 13 years. In 13 years, the RTG power drops more than 20 percent leaving a very small power margin over what is consumed by the spacecraft. Thus it is very important to accurately predict the RTG performance and be able to assess the magnitude of errors involved. The paper lists all the error sources involved in the RTG power predictions and describes a statistical method for calculating the tolerance

  19. Data combinations accounting for LISA spacecraft motion

    International Nuclear Information System (INIS)

    Shaddock, Daniel A.; Tinto, Massimo; Estabrook, Frank B.; Armstrong, J.W.

    2003-01-01

    The laser interferometer space antenna is an array of three spacecraft in an approximately equilateral triangle configuration which will be used as a low-frequency gravitational wave detector. We present here new generalizations of the Michelson- and Sagnac-type time-delay interferometry data combinations. These combinations cancel laser phase noise in the presence of different up and down propagation delays in each arm of the array, and slowly varying systematic motion of the spacecraft. The gravitational wave sensitivities of these generalized combinations are the same as previously computed for the stationary cases, although the combinations are now more complicated. We introduce a diagrammatic representation to illustrate that these combinations are actually synthesized equal-arm interferometers

  20. The Stardust spacecraft arrives at KSC

    Science.gov (United States)

    1998-01-01

    After arrival at the Shuttle Landing Facility in the early morning hours, the crated Stardust spacecraft waits to be unloaded from the aircraft. Built by Lockheed Martin Astronautics near Denver, Colo., for the Jet Propulsion Laboratory (JPL) NASA, the spacecraft Stardust will use a unique medium called aerogel to capture comet particles flying off the nucleus of comet Wild 2 in January 2004, plus collect interstellar dust for later analysis. Stardust will be launched aboard a Boeing Delta 7426 rocket from Complex 17, Cape Canaveral Air Station, targeted for Feb. 6, 1999. The collected samples will return to Earth in a re- entry capsule to be jettisoned from Stardust as it swings by in January 2006.

  1. Close-Range Photogrammetry & Next Generation Spacecraft

    Science.gov (United States)

    Pappa, Richard S.

    2002-01-01

    NASA is focusing renewed attention on the topic of large, ultra-lightweight space structures, also known as 'gossamer' spacecraft. Nearly all of the details of the giant spacecraft are still to be worked out. But it's already clear that one of the most challenging aspects will be developing techniques to align and control these systems after they are deployed in space. A critical part of this process is creating new ground test methods to measure gossamer structures under stationary, deploying and vibrating conditions for validation of corresponding analytical predictions. In addressing this problem, I considered, first of all, the possibility of simply using conventional displacement or vibration sensor that could provide spatial measurements. Next, I turned my attention to photogrammetry, a method of determining the spatial coordinates of objects using photographs. The success of this research and development has convinced me that photogrammetry is the most suitable method to solve the gossamer measurement problem.

  2. Large Scale Experiments on Spacecraft Fire Safety

    DEFF Research Database (Denmark)

    Urban, David L.; Ruff, Gary A.; Minster, Olivier

    2012-01-01

    -based microgravity facilities or has been limited to very small fuel samples. Still, the work conducted to date has shown that fire behaviour in low-gravity is very different from that in normal-gravity, with differences observed for flammability limits, ignition delay, flame spread behaviour, flame colour and flame......Full scale fire testing complemented by computer modelling has provided significant knowhow about the risk, prevention and suppression of fire in terrestrial systems (cars, ships, planes, buildings, mines, and tunnels). In comparison, no such testing has been carried out for manned spacecraft due...... to the complexity, cost and risk associ-ated with operating a long duration fire safety experiment of a relevant size in microgravity. Therefore, there is currently a gap in knowledge of fire behaviour in spacecraft. The entire body of low-gravity fire research has either been conducted in short duration ground...

  3. Evaluation of Ultrafiltration for Spacecraft Water Reuse

    Science.gov (United States)

    Pickering, Karen D.; Wiesner, Mark R.

    2001-01-01

    Ultrafiltration is examined for use as the first stage of a primary treatment process for spacecraft wastewater. It is hypothesized that ultrafiltration can effectively serve as pretreatment for a reverse osmosis system, removing the majority of organic material in a spacecraft wastewater. However, it is believed that the interaction between the membrane material and the surfactant found in the wastewater will have a significant impact on the fouling of the ultrafiltration membrane. In this study, five different ultrafiltration membrane materials are examined for the filtration of wastewater typical of that expected to be produced onboard the International Space Station. Membranes are used in an unstirred batch cell. Flux, organic carbon rejection, and recovery from fouling are measured. The results of this evaluation will be used to select the most promising membranes for further study.

  4. FORTE spacecraft vibration mitigation. Final report

    International Nuclear Information System (INIS)

    Maly, J.R.

    1996-02-01

    This report documents work that was performed by CSA Engineering, Inc., for Los Alamos National Laboratory (LANL), to reduce vibrations of the FORTE spacecraft by retrofitting damped structural components into the spacecraft structure. The technical objective of the work was reduction of response at the location of payload components when the structure is subjected to the dynamic loading associated with launch and proto-qualification testing. FORTE is a small satellite that will be placed in orbit in 1996. The structure weighs approximately 425 lb, and is roughly 80 inches high and 40 inches in diameter. It was developed and built by LANL in conjunction with Sandia National Laboratories Albuquerque for the United States Department of Energy. The FORTE primary structure was fabricated primarily with graphite epoxy, using aluminum honeycomb core material for equipment decks and solar panel substrates. Equipment decks were bonded and bolted through aluminum mounting blocks to adjoining structure

  5. Ligand pose and orientational sampling in molecular docking.

    Directory of Open Access Journals (Sweden)

    Ryan G Coleman

    Full Text Available Molecular docking remains an important tool for structure-based screening to find new ligands and chemical probes. As docking ambitions grow to include new scoring function terms, and to address ever more targets, the reliability and extendability of the orientation sampling, and the throughput of the method, become pressing. Here we explore sampling techniques that eliminate stochastic behavior in DOCK3.6, allowing us to optimize the method for regularly variable sampling of orientations. This also enabled a focused effort to optimize the code for efficiency, with a three-fold increase in the speed of the program. This, in turn, facilitated extensive testing of the method on the 102 targets, 22,805 ligands and 1,411,214 decoys of the Directory of Useful Decoys-Enhanced (DUD-E benchmarking set, at multiple levels of sampling. Encouragingly, we observe that as sampling increases from 50 to 500 to 2000 to 5000 to 20,000 molecular orientations in the binding site (and so from about 1×10(10 to 4×10(10 to 1×10(11 to 2×10(11 to 5×10(11 mean atoms scored per target, since multiple conformations are sampled per orientation, the enrichment of ligands over decoys monotonically increases for most DUD-E targets. Meanwhile, including internal electrostatics in the evaluation ligand conformational energies, and restricting aromatic hydroxyls to low energy rotamers, further improved enrichment values. Several of the strategies used here to improve the efficiency of the code are broadly applicable in the field.

  6. Redundancy for electric motors in spacecraft applications

    Science.gov (United States)

    Smith, Robert J.; Flew, Alastair R.

    1986-01-01

    The parts of electric motors which should be duplicated in order to provide maximum reliability in spacecraft application are identified. Various common types of redundancy are described. The advantages and disadvantages of each are noted. The principal types are illustrated by reference to specific examples. For each example, constructional details, basic performance data and failure modes are described, together with a discussion of the suitability of particular redundancy techniques to motor types.

  7. Research on spacecraft electrical power conversion

    Science.gov (United States)

    Wilson, T. G.

    1983-01-01

    The history of spacecraft electrical power conversion in literature, research and practice is reviewed. It is noted that the design techniques, analyses and understanding which were developed make today's contribution to power computers and communication installations. New applications which require more power, improved dynamic response, greater reliability, and lower cost are outlined. The switching mode approach in electronic power conditioning is discussed. Technical aspects of the research are summarized.

  8. Schema for Spacecraft-Command Dictionary

    Science.gov (United States)

    Laubach, Sharon; Garcia, Celina; Maxwell, Scott; Wright, Jesse

    2008-01-01

    An Extensible Markup Language (XML) schema was developed as a means of defining and describing a structure for capturing spacecraft command- definition and tracking information in a single location in a form readable by both engineers and software used to generate software for flight and ground systems. A structure defined within this schema is then used as the basis for creating an XML file that contains command definitions.

  9. Additive Manufacturing: Ensuring Quality for Spacecraft Applications

    Science.gov (United States)

    Swanson, Theodore; Stephenson, Timothy

    2014-01-01

    Reliable manufacturing requires that material properties and fabrication processes be well defined in order to insure that the manufactured parts meet specified requirements. While this issue is now relatively straightforward for traditional processes such as subtractive manufacturing and injection molding, this capability is still evolving for AM products. Hence, one of the principal challenges within AM is in qualifying and verifying source material properties and process control. This issue is particularly critical for applications in harsh environments and demanding applications, such as spacecraft.

  10. Wheel speed management control system for spacecraft

    Science.gov (United States)

    Goodzeit, Neil E. (Inventor); Linder, David M. (Inventor)

    1991-01-01

    A spacecraft attitude control system uses at least four reaction wheels. In order to minimize reaction wheel speed and therefore power, a wheel speed management system is provided. The management system monitors the wheel speeds and generates a wheel speed error vector. The error vector is integrated, and the error vector and its integral are combined to form a correction vector. The correction vector is summed with the attitude control torque command signals for driving the reaction wheels.

  11. The Manned Spacecraft Center and medical technology

    Science.gov (United States)

    Johnston, R. S.; Pool, S. L.

    1974-01-01

    A number of medically oriented research and hardware development programs in support of manned space flights have been sponsored by NASA. Blood pressure measuring systems for use in spacecraft are considered. In some cases, complete new bioinstrumentation systems were necessary to accomplish a specific physiological study. Plans for medical research during the Skylab program are discussed along with general questions regarding space-borne health service systems and details concerning the Health Services Support Control Center.

  12. Artificial Intelligence and Spacecraft Power Systems

    Science.gov (United States)

    Dugel-Whitehead, Norma R.

    1997-01-01

    This talk will present the work which has been done at NASA Marshall Space Flight Center involving the use of Artificial Intelligence to control the power system in a spacecraft. The presentation will include a brief history of power system automation, and some basic definitions of the types of artificial intelligence which have been investigated at MSFC for power system automation. A video tape of one of our autonomous power systems using co-operating expert systems, and advanced hardware will be presented.

  13. THE FUTURE OF SPACECRAFT NUCLEAR PROPULSION

    OpenAIRE

    Jansen, Frank

    2014-01-01

    This paper summarizes the advantages of space nuclear power and propulsion systems. It describes the actual status of international power level dependent spacecraft nuclear propulsion missions, especially the high power EU-Russian MEGAHIT study including the Russian Megawatt-Class Nuclear Power Propulsion System, the NASA GRC project and the low and medium power EU DiPoP study. Space nuclear propulsion based mission scenarios of these studies are sketched as well.

  14. Bio-inspired algorithms applied to molecular docking simulations.

    Science.gov (United States)

    Heberlé, G; de Azevedo, W F

    2011-01-01

    Nature as a source of inspiration has been shown to have a great beneficial impact on the development of new computational methodologies. In this scenario, analyses of the interactions between a protein target and a ligand can be simulated by biologically inspired algorithms (BIAs). These algorithms mimic biological systems to create new paradigms for computation, such as neural networks, evolutionary computing, and swarm intelligence. This review provides a description of the main concepts behind BIAs applied to molecular docking simulations. Special attention is devoted to evolutionary algorithms, guided-directed evolutionary algorithms, and Lamarckian genetic algorithms. Recent applications of these methodologies to protein targets identified in the Mycobacterium tuberculosis genome are described.

  15. Spacecraft early design validation using formal methods

    International Nuclear Information System (INIS)

    Bozzano, Marco; Cimatti, Alessandro; Katoen, Joost-Pieter; Katsaros, Panagiotis; Mokos, Konstantinos; Nguyen, Viet Yen; Noll, Thomas; Postma, Bart; Roveri, Marco

    2014-01-01

    The size and complexity of software in spacecraft is increasing exponentially, and this trend complicates its validation within the context of the overall spacecraft system. Current validation methods are labor-intensive as they rely on manual analysis, review and inspection. For future space missions, we developed – with challenging requirements from the European space industry – a novel modeling language and toolset for a (semi-)automated validation approach. Our modeling language is a dialect of AADL and enables engineers to express the system, the software, and their reliability aspects. The COMPASS toolset utilizes state-of-the-art model checking techniques, both qualitative and probabilistic, for the analysis of requirements related to functional correctness, safety, dependability and performance. Several pilot projects have been performed by industry, with two of them having focused on the system-level of a satellite platform in development. Our efforts resulted in a significant advancement of validating spacecraft designs from several perspectives, using a single integrated system model. The associated technology readiness level increased from level 1 (basic concepts and ideas) to early level 4 (laboratory-tested)

  16. Determination of Realistic Fire Scenarios in Spacecraft

    Science.gov (United States)

    Dietrich, Daniel L.; Ruff, Gary A.; Urban, David

    2013-01-01

    This paper expands on previous work that examined how large a fire a crew member could successfully survive and extinguish in the confines of a spacecraft. The hazards to the crew and equipment during an accidental fire include excessive pressure rise resulting in a catastrophic rupture of the vehicle skin, excessive temperatures that burn or incapacitate the crew (due to hyperthermia), carbon dioxide build-up or accumulation of other combustion products (e.g. carbon monoxide). The previous work introduced a simplified model that treated the fire primarily as a source of heat and combustion products and sink for oxygen prescribed (input to the model) based on terrestrial standards. The model further treated the spacecraft as a closed system with no capability to vent to the vacuum of space. The model in the present work extends this analysis to more realistically treat the pressure relief system(s) of the spacecraft, include more combustion products (e.g. HF) in the analysis and attempt to predict the fire spread and limiting fire size (based on knowledge of terrestrial fires and the known characteristics of microgravity fires) rather than prescribe them in the analysis. Including the characteristics of vehicle pressure relief systems has a dramatic mitigating effect by eliminating vehicle overpressure for all but very large fires and reducing average gas-phase temperatures.

  17. Probing interferometric parallax with interplanetary spacecraft

    Science.gov (United States)

    Rodeghiero, G.; Gini, F.; Marchili, N.; Jain, P.; Ralston, J. P.; Dallacasa, D.; Naletto, G.; Possenti, A.; Barbieri, C.; Franceschini, A.; Zampieri, L.

    2017-07-01

    We describe an experimental scenario for testing a novel method to measure distance and proper motion of astronomical sources. The method is based on multi-epoch observations of amplitude or intensity correlations between separate receiving systems. This technique is called Interferometric Parallax, and efficiently exploits phase information that has traditionally been overlooked. The test case we discuss combines amplitude correlations of signals from deep space interplanetary spacecraft with those from distant galactic and extragalactic radio sources with the goal of estimating the interplanetary spacecraft distance. Interferometric parallax relies on the detection of wavefront curvature effects in signals collected by pairs of separate receiving systems. The method shows promising potentialities over current techniques when the target is unresolved from the background reference sources. Developments in this field might lead to the construction of an independent, geometrical cosmic distance ladder using a dedicated project and future generation instruments. We present a conceptual overview supported by numerical estimates of its performances applied to a spacecraft orbiting the Solar System. Simulations support the feasibility of measurements with a simple and time-saving observational scheme using current facilities.

  18. On-orbit supervisor for controlling spacecraft

    Science.gov (United States)

    Vandervoort, Richard J.

    1992-07-01

    Spacecraft systems of the 1990's and beyond will be substantially more complex than their predecessors. They will have demanding performance requirements and will be expected to operate more autonomously. This underscores the need for innovative approaches to Fault Detection, Isolation and Recovery (FDIR). A hierarchical expert system is presented that provides on-orbit supervision using intelligent FDIR techniques. Each expert system in the hierarchy supervises the operation of a local set of spacecraft functions. Spacecraft operational goals flow top down while responses flow bottom up. The expert system supervisors have a fairly high degree of autonomy. Bureaucratic responsibilities are minimized to conserve bandwidth and maximize response time. Data for FDIR can be acquired local to an expert and from other experts. By using a blackboard architecture for each supervisor, the system provides a great degree of flexibility in implementing the problem solvers for each problem domain. In addition, it provides for a clear separation between facts and knowledge, leading to an efficient system capable of real time response.

  19. Delamination Assessment Tool for Spacecraft Composite Structures

    Science.gov (United States)

    Portela, Pedro; Preller, Fabian; Wittke, Henrik; Sinnema, Gerben; Camanho, Pedro; Turon, Albert

    2012-07-01

    Fortunately only few cases are known where failure of spacecraft structures due to undetected damage has resulted in a loss of spacecraft and launcher mission. However, several problems related to damage tolerance and in particular delamination of composite materials have been encountered during structure development of various ESA projects and qualification testing. To avoid such costly failures during development, launch or service of spacecraft, launcher and reusable launch vehicles structures a comprehensive damage tolerance verification approach is needed. In 2009, the European Space Agency (ESA) initiated an activity called “Delamination Assessment Tool” which is led by the Portuguese company HPS Lda and includes academic and industrial partners. The goal of this study is the development of a comprehensive damage tolerance verification approach for launcher and reusable launch vehicles (RLV) structures, addressing analytical and numerical methodologies, material-, subcomponent- and component testing, as well as non-destructive inspection. The study includes a comprehensive review of current industrial damage tolerance practice resulting from ECSS and NASA standards, the development of new Best Practice Guidelines for analysis, test and inspection methods and the validation of these with a real industrial case study. The paper describes the main findings of this activity so far and presents a first iteration of a Damage Tolerance Verification Approach, which includes the introduction of novel analytical and numerical tools at an industrial level. This new approach is being put to the test using real industrial case studies provided by the industrial partners, MT Aerospace, RUAG Space and INVENT GmbH

  20. Space Environments and Spacecraft Effects Organization Concept

    Science.gov (United States)

    Edwards, David L.; Burns, Howard D.; Miller, Sharon K.; Porter, Ron; Schneider, Todd A.; Spann, James F.; Xapsos, Michael

    2012-01-01

    The National Aeronautics and Space Administration (NASA) is embarking on a course to expand human presence beyond Low Earth Orbit (LEO) while also expanding its mission to explore the solar system. Destinations such as Near Earth Asteroids (NEA), Mars and its moons, and the outer planets are but a few of the mission targets. Each new destination presents an opportunity to increase our knowledge of the solar system and the unique environments for each mission target. NASA has multiple technical and science discipline areas specializing in specific space environments disciplines that will help serve to enable these missions. To complement these existing discipline areas, a concept is presented focusing on the development of a space environments and spacecraft effects (SENSE) organization. This SENSE organization includes disciplines such as space climate, space weather, natural and induced space environments, effects on spacecraft materials and systems and the transition of research information into application. This space environment and spacecraft effects organization will be composed of Technical Working Groups (TWG). These technical working groups will survey customers and users, generate products, and provide knowledge supporting four functional areas: design environments, engineering effects, operational support, and programmatic support. The four functional areas align with phases in the program mission lifecycle and are briefly described below. Design environments are used primarily in the mission concept and design phases of a program. Engineering effects focuses on the material, component, sub-system and system-level selection and the testing to verify design and operational performance. Operational support provides products based on real time or near real time space weather to mission operators to aid in real time and near-term decision-making. The programmatic support function maintains an interface with the numerous programs within NASA, other federal

  1. Large Scale Experiments on Spacecraft Fire Safety

    Science.gov (United States)

    Urban, David; Ruff, Gary A.; Minster, Olivier; Fernandez-Pello, A. Carlos; Tien, James S.; Torero, Jose L.; Legros, Guillaume; Eigenbrod, Christian; Smirnov, Nickolay; Fujita, Osamu; hide

    2012-01-01

    Full scale fire testing complemented by computer modelling has provided significant knowhow about the risk, prevention and suppression of fire in terrestrial systems (cars, ships, planes, buildings, mines, and tunnels). In comparison, no such testing has been carried out for manned spacecraft due to the complexity, cost and risk associated with operating a long duration fire safety experiment of a relevant size in microgravity. Therefore, there is currently a gap in knowledge of fire behaviour in spacecraft. The entire body of low-gravity fire research has either been conducted in short duration ground-based microgravity facilities or has been limited to very small fuel samples. Still, the work conducted to date has shown that fire behaviour in low-gravity is very different from that in normal gravity, with differences observed for flammability limits, ignition delay, flame spread behaviour, flame colour and flame structure. As a result, the prediction of the behaviour of fires in reduced gravity is at present not validated. To address this gap in knowledge, a collaborative international project, Spacecraft Fire Safety, has been established with its cornerstone being the development of an experiment (Fire Safety 1) to be conducted on an ISS resupply vehicle, such as the Automated Transfer Vehicle (ATV) or Orbital Cygnus after it leaves the ISS and before it enters the atmosphere. A computer modelling effort will complement the experimental effort. Although the experiment will need to meet rigorous safety requirements to ensure the carrier vehicle does not sustain damage, the absence of a crew removes the need for strict containment of combustion products. This will facilitate the possibility of examining fire behaviour on a scale that is relevant to spacecraft fire safety and will provide unique data for fire model validation. This unprecedented opportunity will expand the understanding of the fundamentals of fire behaviour in spacecraft. The experiment is being

  2. Rosetta FlexPepDock ab-initio: simultaneous folding, docking and refinement of peptides onto their receptors.

    Science.gov (United States)

    Raveh, Barak; London, Nir; Zimmerman, Lior; Schueler-Furman, Ora

    2011-04-29

    Flexible peptides that fold upon binding to another protein molecule mediate a large number of regulatory interactions in the living cell and may provide highly specific recognition modules. We present Rosetta FlexPepDock ab-initio, a protocol for simultaneous docking and de-novo folding of peptides, starting from an approximate specification of the peptide binding site. Using the Rosetta fragments library and a coarse-grained structural representation of the peptide and the receptor, FlexPepDock ab-initio samples efficiently and simultaneously the space of possible peptide backbone conformations and rigid-body orientations over the receptor surface of a given binding site. The subsequent all-atom refinement of the coarse-grained models includes full side-chain modeling of both the receptor and the peptide, resulting in high-resolution models in which key side-chain interactions are recapitulated. The protocol was applied to a benchmark in which peptides were modeled over receptors in either their bound backbone conformations or in their free, unbound form. Near-native peptide conformations were identified in 18/26 of the bound cases and 7/14 of the unbound cases. The protocol performs well on peptides from various classes of secondary structures, including coiled peptides with unusual turns and kinks. The results presented here significantly extend the scope of state-of-the-art methods for high-resolution peptide modeling, which can now be applied to a wide variety of peptide-protein interactions where no prior information about the peptide backbone conformation is available, enabling detailed structure-based studies and manipulation of those interactions. © 2011 Raveh et al.

  3. Structure and Sequence Search on Aptamer-Protein Docking

    Science.gov (United States)

    Xiao, Jiajie; Bonin, Keith; Guthold, Martin; Salsbury, Freddie

    2015-03-01

    Interactions between proteins and deoxyribonucleic acid (DNA) play a significant role in the living systems, especially through gene regulation. However, short nucleic acids sequences (aptamers) with specific binding affinity to specific proteins exhibit clinical potential as therapeutics. Our capillary and gel electrophoresis selection experiments show that specific sequences of aptamers can be selected that bind specific proteins. Computationally, given the experimentally-determined structure and sequence of a thrombin-binding aptamer, we can successfully dock the aptamer onto thrombin in agreement with experimental structures of the complex. In order to further study the conformational flexibility of this thrombin-binding aptamer and to potentially develop a predictive computational model of aptamer-binding, we use GPU-enabled molecular dynamics simulations to both examine the conformational flexibility of the aptamer in the absence of binding to thrombin, and to determine our ability to fold an aptamer. This study should help further de-novo predictions of aptamer sequences by enabling the study of structural and sequence-dependent effects on aptamer-protein docking specificity.

  4. Waste Isolation Pilot Plant TruDock crane system analysis

    International Nuclear Information System (INIS)

    Morris, B.C.; Carter, M.

    1996-10-01

    The WIPP TruDock crane system located in the Waste Handling Building was identified in the WIPP Safety Analysis Report (SAR), November 1995, as a potential accident concern due to failures which could result in a dropped load. The objective of this analysis is to evaluate the frequency of failure of the TruDock crane system resulting in a dropped load and subsequent loss of primary containment, i.e. drum failure. The frequency of dropped loads was estimated to be 9.81E-03/year or approximately one every 102 years (or, for the 25% contingency, 7.36E-03/year or approximately one every 136 years). The dominant accident contributor was the failure of the cable/hook assemblies, based on failure data obtained from NUREG-0612, as analyzed by PLG, Inc. The WIPP crane system undergoes a rigorous test and maintenance program, crane operation is discontinued following any abnormality, and the crane operator and load spotter are required to be trained in safe crane operation, therefore it is felt that the WIPP crane performance will exceed the data presented in NUREG-0612 and the estimated failure frequency is felt to be conservative

  5. Gab Docking Proteins in Cardiovascular Disease, Cancer, and Inflammation

    Directory of Open Access Journals (Sweden)

    Yoshikazu Nakaoka

    2013-01-01

    Full Text Available The docking proteins of the Grb2-associated binder (Gab family have emerged as crucial signaling compartments in metazoans. In mammals, the Gab proteins, consisting of Gab1, Gab2, and Gab3, are involved in the amplification and integration of signal transduction evoked by a variety of extracellular stimuli, including growth factors, cytokines, antigens, and other molecules. Gab proteins lack the enzymatic activity themselves; however, when phosphorylated on tyrosine residues, they provide binding sites for multiple Src homology-2 (SH2 domain-containing proteins, such as SH2-containing protein tyrosine phosphatase 2 (SHP2, phosphatidylinositol 3-kinase regulatory subunit p85, phospholipase Cγ, Crk, and GC-GAP. Through these interactions, the Gab proteins transduce signals from activated receptors into pathways with distinct biological functions, thereby contributing to signal diversification. They are known to play crucial roles in numerous physiological processes through their associations with SHP2 and p85. In addition, abnormal Gab protein signaling has been linked to human diseases including cancer, cardiovascular disease, and inflammatory disorders. In this paper, we provide an overview of the structure, effector functions, and regulation of the Gab docking proteins, with a special focus on their associations with cardiovascular disease, cancer, and inflammation.

  6. Contemporary state of spacecraft/environment interaction research

    CERN Document Server

    Novikov, L S

    1999-01-01

    Various space environment effects on spacecraft materials and equipment, and the reverse effects of spacecrafts and rockets on space environment are considered. The necessity of permanent updating and perfection of our knowledge on spacecraft/environment interaction processes is noted. Requirements imposed on models of space environment in theoretical and experimental researches of various aspects of the spacecraft/environment interaction problem are formulated. In this field, main problems which need to be solved today and in the nearest future are specified. The conclusion is made that the joint analysis of both aspects of spacecraft/environment interaction problem promotes the most effective solution of the problem.

  7. Spacecraft Charging: Hazard Causes, Hazard Effects, Hazard Controls

    Science.gov (United States)

    Koontz, Steve.

    2018-01-01

    Spacecraft flight environments are characterized both by a wide range of space plasma conditions and by ionizing radiation (IR), solar ultraviolet and X-rays, magnetic fields, micrometeoroids, orbital debris, and other environmental factors, all of which can affect spacecraft performance. Dr. Steven Koontz's lecture will provide a solid foundation in the basic engineering physics of spacecraft charging and charging effects that can be applied to solving practical spacecraft and spacesuit engineering design, verification, and operations problems, with an emphasis on spacecraft operations in low-Earth orbit, Earth's magnetosphere, and cis-Lunar space.

  8. On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries

    Science.gov (United States)

    Bennett, Trevor J.

    In recent years, there is a growing interest in active debris removal and on-orbit servicing of Earth orbiting assets. The growing need for such approaches is often exemplified by the Iridium-Kosmos collision in 2009 that generated thousands of debris fragments. There exists a variety of active debris removal and on-orbit servicing technologies in development. Conventional docking mechanisms and mechanical capture by actuated manipulators, exemplified by NASA's Restore-L mission, require slow target tumble rates or more aggressive circumnavigation rate matching. The tumble rate limitations can be overcome with flexible capture systems such nets, harpoons, or tethers yet these systems require complex deployment, towing, and/or interfacing strategies to avoid servicer and target damage. Alternatively, touchless methods overcome the tumble rate limitations by provide detumble control prior to a mechanical interface. This thesis explores electrostatic detumble technology to touchlessly reduce large target rotation rates of Geostationary satellites and debris. The technical challenges preceding flight implementation largely reside in the long-duration formation flying guidance, navigation, and control of a servicer spacecraft equipped with electrostatic charge transfer capability. Leveraging prior research into the electrostatic charging of spacecraft, electrostatic detumble control formulations are developed for both axisymmetric and generic target geometries. A novel relative position vector and associated relative orbit control approach is created to manage the long-duration proximity operations. Through detailed numerical simulations, the proposed detumble and relative motion control formulations demonstrate detumble of several thousand kilogram spacecraft tumbling at several degrees per second in only several days. The availability, either through modeling or sensing, of the relative attitude, relative position, and electrostatic potential are among key concerns

  9. Engineering Evaluation of International Low Impact Docking System Latch Hooks

    Science.gov (United States)

    Martinez, J.; Patin, R.; Figert, J.

    2013-01-01

    The international Low Impact Docking System (iLIDS) provides a structural arrangement that allows for visiting vehicles to dock with the International Space Station (ISS) (Fig 1). The iLIDS docking units are mechanically joined together by a series of active and passive latch hooks. In order to preserve docking capability at the existing Russian docking interfaces, the iLIDS latch hooks are required to conform to the existing Russian design. The latch hooks are classified as being fail-safe. Since the latch hooks are fail-safe, the hooks are not fracture critical and a fatigue based service life assessment will satisfy the structural integrity requirements. Constant amplitude fatigue testing to failure on four sets of active/passive iLIDS latch hooks was performed at load magnitudes of 10, 11, and 12 kips. Failure analysis of the hook fatigue failures identified multi-site fatigue initiation that was effectively centered about the hook mid-plane (consistent with the 3D model results). The fatigue crack initiation distribution implies that the fatigue damage accumulation effectively results in a very low aspect ratio surface crack (which can be simulated as thru-thickness crack). Fatigue damage progression resulted in numerous close proximity fatigue crack initiation sites. It was not possible to determine if fatigue crack coalescence occurs during cyclic loading or as result of the fast fracture response. The presence of multiple fatigue crack initiation sites on different planes will result in the formation of ratchet marks as the cracks coalesce. Once the stable fatigue crack becomes unstable and the fast fracture advances across the remaining ligament and the plane stress condition at a free-surface will result in failure along a 45 deg. shear plane (slant fracture) and the resulting inclined edge is called a shear lip. The hook thickness on the plane of fatigue crack initiation is 0.787". The distance between the shear lips on this plane was on the order of 0

  10. Multi-structure docking analysis of BACE1 crystal structures and non-peptidic ligands.

    Science.gov (United States)

    Haghighijoo, Zahra; Hemmateenejad, Bahram; Edraki, Najmeh; Miri, Ramin; Emami, Saeed

    2017-09-01

    In order to design novel non-peptidic inhibitors of BACE1, many research groups have attempted using computational studies including docking analyses. Since there are too many 3D structures for BACE1 in the protein database, the selection of suitable crystal structures is a key prerequisite for the successful application of molecular docking. We employed a multi-structure docking protocol. In which 615 ligands' structures were docked into 150 BACE1 structures. The large number of the resultant docking scores were post-processed by different data analysis methods including exploratory data analysis, regression analysis and discriminant analysis. It was found that using one crystal structure for docking did not result in high accuracy for predicting activity of the BACE1 inhibitors. Instead, using of the multi-structural docking scores, post-processed by chemometrics methods arrived to highly accurate predictive models. In this regards, the PDB accession codes of 4B70, 4DVF and 2WEZ could discriminate between active and inactive compounds, with higher accuracy. Clustering of the BACE1 structures based on principal component analysis of the crystallographic structures the revealed that the discriminant structures are in the center of the clusters. Thus, these structures can be selected as predominant crystal structures for docking studies of non-peptidic BACE1 inhibitors. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. "Flexible Ligand Docking Studies of Matrix Metalloproteinase Inhibitors Using Lamarckian Genetic Algorithm "

    Directory of Open Access Journals (Sweden)

    lOrkideh Ghorban Dadrass

    2004-06-01

    Full Text Available As important therapeutic drug targets, matrix metalloproteinases (MMPs have recently attracted great interest in the search for potent and selective inhibitors using computer-aided molecular modelling and docking techniques. Availability of more than 60 X-ray crystal structures or NMR solution structures related to MMPs in Protein Data Bank (PDB of which more than half of them are in complex with various MMP inhibitors (MMPIs, provides a great opportunity for docking studies. In this study AutoDock 3.0.5 along with its LGA algorithm were used for automated flexible ligand docking of 32 MMPI-MMP complexes and docking accuracy and reliability of the estimated inhibition constants were evaluated. Twenty-six out of 32 docks had RMSD less than 3.0 Å which is considered as well-docked, however, for the most of the cases (15 out of 27, predicted pKi values were considerably overestimated in comparison to experimental values. To improve pKi prediction regarding MMPI-MMP complexes, inclusion of at least one such a complex in calibration of empirical free energy function in the next release of AutoDock is highly recommended.

  12. Docking of B-cell epitope antigen to specific hepatitis B antibody

    Indian Academy of Sciences (India)

    The interaction of pres1 region of hepatitis B virus B-cell epitope antigen with specific hepatitis B neutralizing monoclonal antibody was examined by docking study. We modelled the 3D complex structure of B-cell epitope antigen residues CTTPAQGNSMFPSCCCTKPTDGNCY by homology modelling and docked it with the ...

  13. PSOVina: The hybrid particle swarm optimization algorithm for protein-ligand docking.

    Science.gov (United States)

    Ng, Marcus C K; Fong, Simon; Siu, Shirley W I

    2015-06-01

    Protein-ligand docking is an essential step in modern drug discovery process. The challenge here is to accurately predict and efficiently optimize the position and orientation of ligands in the binding pocket of a target protein. In this paper, we present a new method called PSOVina which combined the particle swarm optimization (PSO) algorithm with the efficient Broyden-Fletcher-Goldfarb-Shannon (BFGS) local search method adopted in AutoDock Vina to tackle the conformational search problem in docking. Using a diverse data set of 201 protein-ligand complexes from the PDBbind database and a full set of ligands and decoys for four representative targets from the directory of useful decoys (DUD) virtual screening data set, we assessed the docking performance of PSOVina in comparison to the original Vina program. Our results showed that PSOVina achieves a remarkable execution time reduction of 51-60% without compromising the prediction accuracies in the docking and virtual screening experiments. This improvement in time efficiency makes PSOVina a better choice of a docking tool in large-scale protein-ligand docking applications. Our work lays the foundation for the future development of swarm-based algorithms in molecular docking programs. PSOVina is freely available to non-commercial users at http://cbbio.cis.umac.mo .

  14. Attitudes of Dutch Pig Farmers Towards Tail Biting and Tail Docking

    NARCIS (Netherlands)

    Bracke, M.B.M.; Lauwere, de C.C.; Wind, S.M.M.; Zonderland, J.J.

    2013-01-01

    The Dutch policy objective of a fully sustainable livestock sector without mutilations by 2023 is not compatible with the routine practice of tail docking to minimize the risk of tail biting. To examine farmer attitudes towards docking, a telephone survey was conducted among 487 conventional and 33

  15. SHARP - Automated monitoring of spacecraft health and status

    Science.gov (United States)

    Atkinson, David J.; James, Mark L.; Martin, R. G.

    1990-01-01

    Briefly discussed here are the spacecraft and ground systems monitoring process at the Jet Propulsion Laboratory (JPL). Some of the difficulties associated with the existing technology used in mission operations are highlighted. A new automated system based on artificial intelligence technology is described which seeks to overcome many of these limitations. The system, called the Spacecraft Health Automated Reasoning Prototype (SHARP), is designed to automate health and status analysis for multi-mission spacecraft and ground data systems operations. The system has proved to be effective for detecting and analyzing potential spacecraft and ground systems problems by performing real-time analysis of spacecraft and ground data systems engineering telemetry. Telecommunications link analysis of the Voyager 2 spacecraft was the initial focus for evaluation of the system in real-time operations during the Voyager spacecraft encounter with Neptune in August 1989.

  16. SHARP: Automated monitoring of spacecraft health and status

    Science.gov (United States)

    Atkinson, David J.; James, Mark L.; Martin, R. Gaius

    1991-01-01

    Briefly discussed here are the spacecraft and ground systems monitoring process at the Jet Propulsion Laboratory (JPL). Some of the difficulties associated with the existing technology used in mission operations are highlighted. A new automated system based on artificial intelligence technology is described which seeks to overcome many of these limitations. The system, called the Spacecraft Health Automated Reasoning Prototype (SHARP), is designed to automate health and status analysis for multi-mission spacecraft and ground data systems operations. The system has proved to be effective for detecting and analyzing potential spacecraft and ground systems problems by performing real-time analysis of spacecraft and ground data systems engineering telemetry. Telecommunications link analysis of the Voyager 2 spacecraft was the initial focus for evaluation of the system in real-time operations during the Voyager spacecraft encounter with Neptune in August 1989.

  17. Research-Based Monitoring, Prediction, and Analysis Tools of the Spacecraft Charging Environment for Spacecraft Users

    Science.gov (United States)

    Zheng, Yihua; Kuznetsova, Maria M.; Pulkkinen, Antti A.; Maddox, Marlo M.; Mays, Mona Leila

    2015-01-01

    The Space Weather Research Center (http://swrc. gsfc.nasa.gov) at NASA Goddard, part of the Community Coordinated Modeling Center (http://ccmc.gsfc.nasa.gov), is committed to providing research-based forecasts and notifications to address NASA's space weather needs, in addition to its critical role in space weather education. It provides a host of services including spacecraft anomaly resolution, historical impact analysis, real-time monitoring and forecasting, tailored space weather alerts and products, and weekly summaries and reports. In this paper, we focus on how (near) real-time data (both in space and on ground), in combination with modeling capabilities and an innovative dissemination system called the integrated Space Weather Analysis system (http://iswa.gsfc.nasa.gov), enable monitoring, analyzing, and predicting the spacecraft charging environment for spacecraft users. Relevant tools and resources are discussed.

  18. HDOCK: a web server for protein–protein and protein–DNA/RNA docking based on a hybrid strategy

    Science.gov (United States)

    Yan, Yumeng; Zhang, Di; Zhou, Pei; Li, Botong

    2017-01-01

    Abstract Protein–protein and protein–DNA/RNA interactions play a fundamental role in a variety of biological processes. Determining the complex structures of these interactions is valuable, in which molecular docking has played an important role. To automatically make use of the binding information from the PDB in docking, here we have presented HDOCK, a novel web server of our hybrid docking algorithm of template-based modeling and free docking, in which cases with misleading templates can be rescued by the free docking protocol. The server supports protein–protein and protein–DNA/RNA docking and accepts both sequence and structure inputs for proteins. The docking process is fast and consumes about 10–20 min for a docking run. Tested on the cases with weakly homologous complexes of server. The HDOCK web server is available at http://hdock.phys.hust.edu.cn/. PMID:28521030

  19. Cluster PEACE observations of electrons of spacecraft origin

    Directory of Open Access Journals (Sweden)

    S. Szita

    2001-09-01

    Full Text Available The two PEACE (Plasma Electron And Current Experiment sensors on board each Cluster spacecraft sample the electron velocity distribution across the full 4 solid angle and the energy range 0.7 eV to 26 keV with a time resolution of 4 s. We present high energy and angular resolution 3D observations of electrons of spacecraft origin in the various environments encountered by the Cluster constellation, including a lunar eclipse interval where the spacecraft potential was reduced but remained positive, and periods of ASPOC (Active Spacecraft POtential Control operation which reduced the spacecraft potential. We demonstrate how the spacecraft potential may be found from a gradient change in the PEACE low energy spectrum, and show how the observed spacecraft electrons are confined by the spacecraft potential. We identify an intense component of the spacecraft electrons with energies equivalent to the spacecraft potential, the arrival direction of which is seen to change when ASPOC is switched on. Another spacecraft electron component, observed in the sunward direction, is reduced in the eclipse but unaffected by ASPOC, and we believe this component is produced in the analyser by solar UV. We find that PEACE anodes with a look direction along the spacecraft surfaces are more susceptible to spacecraft electron contamination than those which look perpendicular to the surface, which justifies the decision to mount PEACE with its field-of-view radially outward rather than tangentially.Key words. Magnetosheric physics (general or miscellaneous Space plasma physics (spacecraft sheaths, wakes, charging

  20. DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations

    Directory of Open Access Journals (Sweden)

    Alberto Cuzzolin

    2015-05-01

    Full Text Available Virtual screening (VS is a computational methodology that streamlines the drug discovery process by reducing costs and required resources through the in silico identification of potential drug candidates. Structure-based VS (SBVS exploits knowledge about the three-dimensional (3D structure of protein targets and uses the docking methodology as search engine for novel hits. The success of a SBVS campaign strongly depends upon the accuracy of the docking protocol used to select the candidates from large chemical libraries. The identification of suitable protocols is therefore a crucial step in the setup of SBVS experiments. Carrying out extensive benchmark studies, however, is usually a tangled task that requires users’ proficiency in handling different file formats and philosophies at the basis of the plethora of existing software packages. We present here DockBench 1.0, a platform available free of charge that eases the pipeline by automating the entire procedure, from docking benchmark to VS setups. In its current implementation, DockBench 1.0 handles seven docking software packages and offers the possibility to test up to seventeen different protocols. The main features of our platform are presented here and the results of the benchmark study of human Checkpoint kinase 1 (hChk1 are discussed as validation test.

  1. PaFlexPepDock: parallel ab-initio docking of peptides onto their receptors with full flexibility based on Rosetta.

    Science.gov (United States)

    Li, Haiou; Lu, Liyao; Chen, Rong; Quan, Lijun; Xia, Xiaoyan; Lü, Qiang

    2014-01-01

    Structural information related to protein-peptide complexes can be very useful for novel drug discovery and design. The computational docking of protein and peptide can supplement the structural information available on protein-peptide interactions explored by experimental ways. Protein-peptide docking of this paper can be described as three processes that occur in parallel: ab-initio peptide folding, peptide docking with its receptor, and refinement of some flexible areas of the receptor as the peptide is approaching. Several existing methods have been used to sample the degrees of freedom in the three processes, which are usually triggered in an organized sequential scheme. In this paper, we proposed a parallel approach that combines all the three processes during the docking of a folding peptide with a flexible receptor. This approach mimics the actual protein-peptide docking process in parallel way, and is expected to deliver better performance than sequential approaches. We used 22 unbound protein-peptide docking examples to evaluate our method. Our analysis of the results showed that the explicit refinement of the flexible areas of the receptor facilitated more accurate modeling of the interfaces of the complexes, while combining all of the moves in parallel helped the constructing of energy funnels for predictions.

  2. PaFlexPepDock: parallel ab-initio docking of peptides onto their receptors with full flexibility based on Rosetta.

    Directory of Open Access Journals (Sweden)

    Haiou Li

    Full Text Available Structural information related to protein-peptide complexes can be very useful for novel drug discovery and design. The computational docking of protein and peptide can supplement the structural information available on protein-peptide interactions explored by experimental ways. Protein-peptide docking of this paper can be described as three processes that occur in parallel: ab-initio peptide folding, peptide docking with its receptor, and refinement of some flexible areas of the receptor as the peptide is approaching. Several existing methods have been used to sample the degrees of freedom in the three processes, which are usually triggered in an organized sequential scheme. In this paper, we proposed a parallel approach that combines all the three processes during the docking of a folding peptide with a flexible receptor. This approach mimics the actual protein-peptide docking process in parallel way, and is expected to deliver better performance than sequential approaches. We used 22 unbound protein-peptide docking examples to evaluate our method. Our analysis of the results showed that the explicit refinement of the flexible areas of the receptor facilitated more accurate modeling of the interfaces of the complexes, while combining all of the moves in parallel helped the constructing of energy funnels for predictions.

  3. Improved Harmony Search Algorithm for Truck Scheduling Problem in Multiple-Door Cross-Docking Systems

    Directory of Open Access Journals (Sweden)

    Zhanzhong Wang

    2018-01-01

    Full Text Available The key of realizing the cross docking is to design the joint of inbound trucks and outbound trucks, so a proper sequence of trucks will make the cross-docking system much more efficient and need less makespan. A cross-docking system is proposed with multiple receiving and shipping dock doors. The objective is to find the best door assignments and the sequences of trucks in the principle of products distribution to minimize the total makespan of cross docking. To solve the problem that is regarded as a mixed integer linear programming (MILP model, three metaheuristics, namely, harmony search (HS, improved harmony search (IHS, and genetic algorithm (GA, are proposed. Furthermore, the fixed parameters are optimized by Taguchi experiments to improve the accuracy of solutions further. Finally, several numerical examples are put forward to evaluate the performances of proposed algorithms.

  4. Developing a cross-docking network design model under uncertain environment

    Science.gov (United States)

    Seyedhoseini, S. M.; Rashid, Reza; Teimoury, E.

    2015-06-01

    Cross-docking is a logistic concept, which plays an important role in supply chain management by decreasing inventory holding, order packing, transportation costs and delivery time. Paying attention to these concerns, and importance of the congestion in cross docks, we present a mixed-integer model to optimize the location and design of cross docks at the same time to minimize the total transportation and operating costs. The model combines queuing theory for design aspects, for that matter, we consider a network of cross docks and customers where two M/M/c queues have been represented to describe operations of indoor trucks and outdoor trucks in each cross dock. To prepare a perfect illustration for performance of the model, a real case also has been examined that indicated effectiveness of the proposed model.

  5. Borda application of selection planning scheduling method in dock engineering consultants in Central Sulawesi province Indonesia

    Directory of Open Access Journals (Sweden)

    Siti Fatimah

    2015-04-01

    Full Text Available The aim of this paper to find out the planning scheduling method that used in dock engineering consultants as a project supervisor dock. This research use qualitative approach to find the most preferred method by engineering consultants, this research was explorative that test and find out the most preferred method. This research showed that dock engineering consultants in Palu City, Central Sulawesi most preferred curve-s method than method such as CPM, PERT, PDM, and Bar Chart. This research can help further research to determine differences and similarities the project planning scheduling method and being basic for The New Dock Engineering Consultans. This research looking for the most preferred method with limited respondents dock engineering consultans in Palu City, Central Sulawesi.

  6. Electromagnetic Dissociation and Spacecraft Electronics Damage

    Science.gov (United States)

    Norbury, John W.

    2016-01-01

    When protons or heavy ions from galactic cosmic rays (GCR) or solar particle events (SPE) interact with target nuclei in spacecraft, there can be two different types of interactions. The more familiar strong nuclear interaction often dominates and is responsible for nuclear fragmentation in either the GCR or SPE projectile nucleus or the spacecraft target nucleus. (Of course, the proton does not break up, except possibly to produce pions or other hadrons.) The less familiar, second type of interaction is due to the very strong electromagnetic fields that exist when two charged nuclei pass very close to each other. This process is called electromagnetic dissociation (EMD) and primarily results in the emission of neutrons, protons and light ions (isotopes of hydrogen and helium). The cross section for particle production is approximately defined as the number of particles produced in nucleus-nucleus collisions or other types of reactions. (There are various kinematic and other factors which multiply the particle number to arrive at the cross section.) Strong, nuclear interactions usually dominate the nuclear reactions of most interest that occur between GCR and target nuclei. However, for heavy nuclei (near Fe and beyond) at high energy the EMD cross section can be much larger than the strong nuclear interaction cross section. This paper poses a question: Are there projectile or target nuclei combinations in the interaction of GCR or SPE where the EMD reaction cross section plays a dominant role? If the answer is affirmative, then EMD mechanisms should be an integral part of codes that are used to predict damage to spacecraft electronics. The question can become more fine-tuned and one can ask about total reaction cross sections as compared to double differential cross sections. These issues will be addressed in the present paper.

  7. Spacecraft fabrication and test MODIL. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Saito, T.T.

    1994-05-01

    This report covers the period from October 1992 through the close of the project. FY 92 closed out with the successful briefing to industry and with many potential and important initiatives in the spacecraft arena. Due to the funding uncertainties, we were directed to proceed as if our funding would be approximately the same as FY 92 ($2M), but not to make any major new commitments. However, the MODIL`s FY 93 funding was reduced to $810K and we were directed to concentrate on the cryocooler area. The cryocooler effort completed its demonstration project. The final meetings with the cryocooler fabricators were very encouraging as we witnessed the enthusiastic reception of technology to help them reduce fabrication uncertainties. Support of the USAF Phillips Laboratory cryocooler program was continued including kick-off meetings for the Prototype Spacecraft Cryocooler (PSC). Under Phillips Laboratory support, Gill Cruz visited British Aerospace and Lucas Aerospace in the United Kingdom to assess their manufacturing capabilities. In the Automated Spacecraft & Assembly Project (ASAP), contracts were pursued for the analysis by four Brilliant Eyes prime contractors to provide a proprietary snap shot of their current status of Integrated Product Development. In the materials and structure thrust the final analysis was completed of the samples made under the contract (``Partial Automation of Matched Metal Net Shape Molding of Continuous Fiber Composites``) to SPARTA. The Precision Technologies thrust funded the Jet Propulsion Laboratory to prepare a plan to develop a Computer Aided Alignment capability to significantly reduce the time for alignment and even possibly provide real time and remote alignment capability of systems in flight.

  8. Spacecraft computer technology at Southwest Research Institute

    Science.gov (United States)

    Shirley, D. J.

    1993-01-01

    Southwest Research Institute (SwRI) has developed and delivered spacecraft computers for a number of different near-Earth-orbit spacecraft including shuttle experiments and SDIO free-flyer experiments. We describe the evolution of the basic SwRI spacecraft computer design from those weighing in at 20 to 25 lb and using 20 to 30 W to newer models weighing less than 5 lb and using only about 5 W, yet delivering twice the processing throughput. Because of their reduced size, weight, and power, these newer designs are especially applicable to planetary instrument requirements. The basis of our design evolution has been the availability of more powerful processor chip sets and the development of higher density packaging technology, coupled with more aggressive design strategies in incorporating high-density FPGA technology and use of high-density memory chips. In addition to reductions in size, weight, and power, the newer designs also address the necessity of survival in the harsh radiation environment of space. Spurred by participation in such programs as MSTI, LACE, RME, Delta 181, Delta Star, and RADARSAT, our designs have evolved in response to program demands to be small, low-powered units, radiation tolerant enough to be suitable for both Earth-orbit microsats and for planetary instruments. Present designs already include MIL-STD-1750 and Multi-Chip Module (MCM) technology with near-term plans to include RISC processors and higher-density MCM's. Long term plans include development of whole-core processors on one or two MCM's.

  9. Soyuz Spacecraft Transported to Launch Pad

    Science.gov (United States)

    2003-01-01

    The Soyuz TMA-3 spacecraft and its booster rocket (rear view) is shown on a rail car for transport to the launch pad where it was raised to a vertical launch position at the Baikonur Cosmodrome, Kazakhstan on October 16, 2003. Liftoff occurred on October 18th, transporting a three man crew to the International Space Station (ISS). Aboard were Michael Foale, Expedition-8 Commander and NASA science officer; Alexander Kaleri, Soyuz Commander and flight engineer, both members of the Expedition-8 crew; and European Space agency (ESA) Astronaut Pedro Duque of Spain. Photo Credit: 'NASA/Bill Ingalls'

  10. Effects of Spacecraft Landings on the Moon

    Science.gov (United States)

    Metzger, Philip T.; Lane, John E.

    2013-01-01

    The rocket exhaust of spacecraft landing on the Moon causes a number of observable effects that need to be quantified, including: disturbance of the regolith and volatiles at the landing site; damage to surrounding hardware such as the historic Apollo sites through the impingement of high-velocity ejecta; and levitation of dust after engine cutoff through as-yet unconfirmed mechanisms. While often harmful, these effects also beneficially provide insight into lunar geology and physics. Some of the research results from the past 10 years is summarized and reviewed here.

  11. Fault Detection and Isolation for Spacecraft

    DEFF Research Database (Denmark)

    Jensen, Hans-Christian Becker; Wisniewski, Rafal

    2002-01-01

    This article realizes nonlinear Fault Detection and Isolation for actuators, given there is no measurement of the states in the actuators. The Fault Detection and Isolation of the actuators is instead based on angular velocity measurement of the spacecraft and knowledge about the dynamics...... of the satellite. The algorithms presented in this paper are based on a geometric approach to achieve nonlinear Fault Detection and Isolation. The proposed algorithms are tested in a simulation study and the pros and cons of the algorithms are discussed....

  12. Aircraft, ships, spacecraft, nuclear plants and quality

    International Nuclear Information System (INIS)

    Patrick, M.G.

    1984-05-01

    A few quality assurance programs outside the purview of the Nuclear Regulatory Commission were studied to identify features or practices which the NRC could use to enhance its program for assuring quality in the design and construction of nuclear power plants. The programs selected were: the manufacture of large commercial transport aircraft, regulated by the Federal Aviation Administration; US Navy shipbuilding; commercial shipbuilding regulated by the Maritime Administration and the US Coast Guard; Government-owned nuclear plants under the Department of Energy; spacecraft under the National Aeronautics and Space Administration; and the construction of nuclear power plants in Canada, West Germany, France, Japan, Sweden, and the United Kingdom

  13. SSS-A spacecraft and experiment description.

    Science.gov (United States)

    Longanecker, G. W.; Hoffman, R. A.

    1973-01-01

    The scientific objectives of the Explorer-45 mission are discussed. The primary objective is the study of the ring current responsible for the main phase of magnetic storms. Closely associated with this objective is the determination of the relationship between magnetic storms, substorms, and the acceleration of charged particles in the magnetosphere. Further objectives are the measurement of a wide range of proton, electron and alpha-particle energies, and studies of wave-particle interactions responsible for particle transport and loss in the inner magnetosphere. The orbital parameters, the spacecraft itself, and some of its unique features, such as the data handling system, which is programmable from the ground, are described.

  14. The focal adhesion-associated proteins DOCK5 and GIT2 comprise a rheostat in control of epithelial invasion

    DEFF Research Database (Denmark)

    Frank, Scott R; Köllmann, C P; van Lidth de Jeude, J F

    2017-01-01

    DOCK proteins are guanine nucleotide exchange factors for Rac and Cdc42 GTPases. DOCK1 is the founding member of the family and acts downstream of integrins via the canonical Crk-p130Cas complex to activate Rac GTPases in numerous contexts. In contrast, DOCK5, which possesses the greatest similar......:10.1038/onc.2016.345....

  15. Small Rocket/Spacecraft Technology (SMART) Platform

    Science.gov (United States)

    Esper, Jaime; Flatley, Thomas P.; Bull, James B.; Buckley, Steven J.

    2011-01-01

    The NASA Goddard Space Flight Center (GSFC) and the Department of Defense Operationally Responsive Space (ORS) Office are exercising a multi-year collaborative agreement focused on a redefinition of the way space missions are designed and implemented. A much faster, leaner and effective approach to space flight requires the concerted effort of a multi-agency team tasked with developing the building blocks, both programmatically and technologically, to ultimately achieve flights within 7-days from mission call-up. For NASA, rapid mission implementations represent an opportunity to find creative ways for reducing mission life-cycle times with the resulting savings in cost. This in tum enables a class of missions catering to a broader audience of science participants, from universities to private and national laboratory researchers. To that end, the SMART (Small Rocket/Spacecraft Technology) micro-spacecraft prototype demonstrates an advanced avionics system with integrated GPS capability, high-speed plug-and-playable interfaces, legacy interfaces, inertial navigation, a modular reconfigurable structure, tunable thermal technology, and a number of instruments for environmental and optical sensing. Although SMART was first launched inside a sounding rocket, it is designed as a free-flyer.

  16. Time delay interferometry with moving spacecraft arrays

    International Nuclear Information System (INIS)

    Tinto, Massimo; Estabrook, F.B.; Armstrong, J.W.

    2004-01-01

    Space-borne interferometric gravitational wave detectors, sensitive in the low-frequency (millihertz) band, will fly in the next decade. In these detectors the spacecraft-to-spacecraft light-travel-times will necessarily be unequal, time varying, and (due to aberration) have different time delays on up and down links. The reduction of data from moving interferometric laser arrays in solar orbit will in fact encounter nonsymmetric up- and down-link light time differences that are about 100 times larger than has previously been recognized. The time-delay interferometry (TDI) technique uses knowledge of these delays to cancel the otherwise dominant laser phase noise and yields a variety of data combinations sensitive to gravitational waves. Under the assumption that the (different) up- and down-link time delays are constant, we derive the TDI expressions for those combinations that rely only on four interspacecraft phase measurements. We then turn to the general problem that encompasses time dependence of the light-travel times along the laser links. By introducing a set of noncommuting time-delay operators, we show that there exists a quite general procedure for deriving generalized TDI combinations that account for the effects of time dependence of the arms. By applying our approach we are able to re-derive the 'flex-free' expression for the unequal-arm Michelson combinations X 1 , and obtain the generalized expressions for the TDI combinations called relay, beacon, monitor, and symmetric Sagnac

  17. Relativistic effects of spacecraft with circumnavigating observer

    Science.gov (United States)

    Shanklin, Nathaniel; West, Joseph

    A variation of the recently introduced Trolley Paradox, itself is a variation of the Ehrenfest Paradox is presented. In the Trolley Paradox, a ``stationary'' set of observers tracking a wheel rolling with a constant velocity find that the wheel travels further than its rest length circumference during one revolution of the wheel, despite the fact that the Lorentz contracted circumference is less than its rest value. In the variation presented, a rectangular spacecraft with onboard observers moves with constant velocity and is circumnavigated by several small ``sloops'' forming teams of inertial observers. This whole precession moves relative to a set of ``stationary'' Earth observers. Two cases are presented, one in which the sloops are evenly spaced according to the spacecraft observers, and one in which the sloops are evenly spaced according to the Earth observes. These two cases, combined with the rectangular geometry and an emphasis on what is seen by, and what is measured by, each set of observers is very helpful in sorting out the apparent contradictions. To aid in the visualizations stationary representations in excel along with animation in Visual Python and Unity are presented. The analysis presented is suitable for undergraduate physics majors.

  18. Spacecraft Dynamic Characterization by Strain Energies Method

    Science.gov (United States)

    Bretagne, J.-M.; Fragnito, M.; Massier, S.

    2002-01-01

    In the last years the significant increase in satellite broadcasting demand, with the wide band communication dawn, has given a great impulse to the telecommunication satellite market. The big demand is translated from operators (such as SES/Astra, Eutelsat, Intelsat, Inmarsat, EuroSkyWay etc.) in an increase of orders of telecom satellite to the world industrials. The largest part of these telecom satellite orders consists of Geostationary platforms which grow more and more in mass (over 5 tons) due to an ever longer demanded lifetime (up to 20 years), and become more complex due to the need of implementing an ever larger number of repeaters, antenna reflectors and feeds, etc... In this frame, the mechanical design and verification of these large spacecraft become difficult and ambitious at the same time, driven by the dry mass limitation objective. By the Finite Element Method (FEM), and on the basis of the telecom satellite heritage of a world leader constructor such as Alcatel Space Industries it is nowadays possible to model these spacecraft in a realistic and confident way in order to identify the main global dynamic aspects such as mode shapes, mass participation and/or dynamic responses. But on the other hand, one of the main aims consists in identifying soon in a program the most critical aspects of the system behavior in the launch dynamic environment, such as possible dynamic coupling between the different subsystems and secondary structures of the spacecraft (large deployable reflectors, thrusters, etc.). To this aim a numerical method has been developed in the frame of the Alcatel SPACEBUS family program, using MSC/Nastran capabilities and it is presented in this paper. The method is based on Spacecraft sub-structuring and strain energy calculation. The method mainly consists of two steps : 1) subsystem modal strain energy ratio (with respect to the global strain energy); 2) subsystem strain energy calculation for each mode according to the base driven

  19. Space vehicle with customizable payload and docking station

    Science.gov (United States)

    Judd, Stephen; Dallmann, Nicholas; McCabe, Kevin; Seitz, Daniel

    2018-01-30

    A "black box" space vehicle solution may allow a payload developer to define the mission space and provide mission hardware within a predetermined volume and with predetermined connectivity. Components such as the power module, radios and boards, attitude determination and control system (ADCS), command and data handling (C&DH), etc. may all be provided as part of a "stock" (i.e., core) space vehicle. The payload provided by the payload developer may be plugged into the space vehicle payload section, tested, and launched without custom development of core space vehicle components by the payload developer. A docking station may facilitate convenient development and testing of the space vehicle while reducing handling thereof.

  20. Solving a molecular docking problem by the modified PSO method

    Directory of Open Access Journals (Sweden)

    A. P. Karpenko

    2014-01-01

    Full Text Available The paper presents an canonical method of the swarm particles in two modifications to raise this method efficiency in solving multi-extreme problems of high dimension optimization. The essence of PSO-M1 modification is to form two new points to attract swarm particles (along with the points which are responsible for inertial, cognitive, and social components of canonical method. These new points represent the best points of sets of particles-neighbours of a given point. The modification aims to diversify search. All free parameters of the PSO-M1 method (as well as an canonical method are static. In contrast, one of such parameters of PSO-M2 modification is dynamic. So this modification represents an example of a self-adaptive method of optimization. The modification aims to intensify search. A computing experiment to study the method efficiency and its abovementioned modifications at solving the test problems of optimization showed advantages of offered modifications in comparison with canonical method, revealed a superiority of PSO-M2 modification both over canonical method, and over PSO-M1 modification. Using the PSO-M2 method allows us to solve the 28-dimensional molecular docking problem of HIV1 protease and darunaviry 3U7S as the molecules of receptor and a ligand, respectively. Results of computing experiment have shown that the PSO-M2 method successfully finds the position of ligand close to native and can be recommended for solving the molecular docking problems as an alternative to genetic algorithm.

  1. Spacecraft Dynamics Should be Considered in Kalman Filter Attitude Estimation

    Science.gov (United States)

    Yang, Yaguang; Zhou, Zhiqiang

    2016-01-01

    Kalman filter based spacecraft attitude estimation has been used in some high-profile missions and has been widely discussed in literature. While some models in spacecraft attitude estimation include spacecraft dynamics, most do not. To our best knowledge, there is no comparison on which model is a better choice. In this paper, we discuss the reasons why spacecraft dynamics should be considered in the Kalman filter based spacecraft attitude estimation problem. We also propose a reduced quaternion spacecraft dynamics model which admits additive noise. Geometry of the reduced quaternion model and the additive noise are discussed. This treatment is more elegant in mathematics and easier in computation. We use some simulation example to verify our claims.

  2. Electromagnetic Forces on a Relativistic Spacecraft in the Interstellar Medium

    Energy Technology Data Exchange (ETDEWEB)

    Hoang, Thiem [Korea Astronomy and Space Science Institute, Daejeon 34055 (Korea, Republic of); Loeb, Abraham, E-mail: thiemhoang@kasi.re.kr, E-mail: aloeb@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA (United States)

    2017-10-10

    A relativistic spacecraft of the type envisioned by the Breakthrough Starshot initiative will inevitably become charged through collisions with interstellar particles and UV photons. Interstellar magnetic fields would therefore deflect the trajectory of the spacecraft. We calculate the expected deflection for typical interstellar conditions. We also find that the charge distribution of the spacecraft is asymmetric, producing an electric dipole moment. The interaction between the moving electric dipole and the interstellar magnetic field is found to produce a large torque, which can result in fast oscillation of the spacecraft around the axis perpendicular to the direction of motion, with a period of ∼0.5 hr. We then study the spacecraft rotation arising from impulsive torques by dust bombardment. Finally, we discuss the effect of the spacecraft rotation and suggest several methods to mitigate it.

  3. An Efficient ABC_DE_Based Hybrid Algorithm for Protein–Ligand Docking

    Directory of Open Access Journals (Sweden)

    Boxin Guan

    2018-04-01

    Full Text Available Protein–ligand docking is a process of searching for the optimal binding conformation between the receptor and the ligand. Automated docking plays an important role in drug design, and an efficient search algorithm is needed to tackle the docking problem. To tackle the protein–ligand docking problem more efficiently, An ABC_DE_based hybrid algorithm (ADHDOCK, integrating artificial bee colony (ABC algorithm and differential evolution (DE algorithm, is proposed in the article. ADHDOCK applies an adaptive population partition (APP mechanism to reasonably allocate the computational resources of the population in each iteration process, which helps the novel method make better use of the advantages of ABC and DE. The experiment tested fifty protein–ligand docking problems to compare the performance of ADHDOCK, ABC, DE, Lamarckian genetic algorithm (LGA, running history information guided genetic algorithm (HIGA, and swarm optimization for highly flexible protein–ligand docking (SODOCK. The results clearly exhibit the capability of ADHDOCK toward finding the lowest energy and the smallest root-mean-square deviation (RMSD on most of the protein–ligand docking problems with respect to the other five algorithms.

  4. Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus

    Directory of Open Access Journals (Sweden)

    Pawan Kaushik

    2014-01-01

    Full Text Available The present study attempts to establish a relationship between ethnopharmacological claims and bioactive constituents present in Pinus roxburghii against all possible targets for diabetes through molecular docking and to develop a pharmacophore model for the active target. The process of molecular docking involves study of different bonding modes of one ligand with active cavities of target receptors protein tyrosine phosphatase 1-beta (PTP-1β, dipeptidyl peptidase-IV (DPP-IV, aldose reductase (AR, and insulin receptor (IR with help of docking software Molegro virtual docker (MVD. From the results of docking score values on different receptors for antidiabetic activity, it is observed that constituents, namely, secoisoresinol, pinoresinol, and cedeodarin, showed the best docking results on almost all the receptors, while the most significant results were observed on AR. Then, LigandScout was applied to develop a pharmacophore model for active target. LigandScout revealed that 2 hydrogen bond donors pointing towards Tyr 48 and His 110 are a major requirement of the pharmacophore generated. In our molecular docking studies, the active constituent, secoisoresinol, has also shown hydrogen bonding with His 110 residue which is a part of the pharmacophore. The docking results have given better insights into the development of better aldose reductase inhibitor so as to treat diabetes related secondary complications.

  5. Mathematical Modeling and Kinematics Analysis of Double Spherical Shell Rotary Docking Skirt

    Directory of Open Access Journals (Sweden)

    Gong Haixia

    2017-01-01

    Full Text Available In order to solve the problem of large trim and heel angles of the wrecked submarine, the double spherical shell rotating docking skirt is studied. According to the working principle of the rotating docking skirt, and the fixed skirt, the directional skirt, the angle skirt are simplified as the connecting rod. Therefore, the posture equation and kinematics model of the docking skirt are deduced, and according to the kinematics model, the angle of rotation of the directional skirt and the angle skirt is obtained when the wrecked submarine is in different trim and heel angles. Through the directional skirt and angle skirt with the matching rotation can make docking skirt interface in the 0°~2γ range within the rotation, to complete the docking skirt and the wrecked submarine docking. The MATLAB software is used to visualize the rotation angle of fixed skirt and directional skirt, which lays a good foundation for the development of the control of the double spherical shell rotating docking skirt in future.

  6. Fast and accurate grid representations for atom-based docking with partner flexibility.

    Science.gov (United States)

    de Vries, Sjoerd J; Zacharias, Martin

    2017-06-30

    Macromolecular docking methods can broadly be divided into geometric and atom-based methods. Geometric methods use fast algorithms that operate on simplified, grid-like molecular representations, while atom-based methods are more realistic and flexible, but far less efficient. Here, a hybrid approach of grid-based and atom-based docking is presented, combining precalculated grid potentials with neighbor lists for fast and accurate calculation of atom-based intermolecular energies and forces. The grid representation is compatible with simultaneous multibody docking and can tolerate considerable protein flexibility. When implemented in our docking method ATTRACT, grid-based docking was found to be ∼35x faster. With the OPLSX forcefield instead of the ATTRACT coarse-grained forcefield, the average speed improvement was >100x. Grid-based representations may allow atom-based docking methods to explore large conformational spaces with many degrees of freedom, such as multiple macromolecules including flexibility. This increases the domain of biological problems to which docking methods can be applied. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  7. GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking.

    Science.gov (United States)

    Weiss, Dahlia R; Bortolato, Andrea; Tehan, Benjamin; Mason, Jonathan S

    2016-04-25

    Virtual screening is routinely used to discover new ligands and in particular new ligand chemotypes for G protein-coupled receptors (GPCRs). To prepare for a virtual screen, we often tailor a docking protocol that will enable us to select the best candidates for further screening. To aid this, we created GPCR-Bench, a publically available docking benchmarking set in the spirit of the DUD and DUD-E reference data sets for validation studies, containing 25 nonredundant high-resolution GPCR costructures with an accompanying set of diverse ligands and computational decoy molecules for each target. Benchmarking sets are often used to compare docking protocols; however, it is important to evaluate docking methods not by "retrospective" hit rates but by the actual likelihood that they will produce novel prospective hits. Therefore, docking protocols must not only rank active molecules highly but also produce good poses that a chemist will select for purchase and screening. Currently, no simple objective machine-scriptable function exists that can do this; instead, docking hit lists must be subjectively examined in a consistent way to compare between docking methods. We present here a case study highlighting considerations we feel are of importance when evaluating a method, intended to be useful as a practitioners' guide.

  8. Proposed docking interface between peptidoglycan and the target recognition domain of zoocin A

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yinghua [Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487 (United States); Simmonds, Robin S. [Department of Microbiology and Immunology, University of Otago, Dunedin (New Zealand); Timkovich, Russell, E-mail: rtimkovi@bama.ua.edu [Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487 (United States)

    2013-11-15

    Highlights: •Peptidoglycan added to zoocin rTRD perturbs NMR resonances around W115. •Simulations predict docking to a shallow surface groove near W115. •The docking interface is similar to mammalian antibody–antigen sites. •EDTA binds to a distinct surface site. -- Abstract: A docking model is proposed for the target recognition domain of the lytic exoenzyme zoocin A with the peptidoglycan on the outer cell surface of sensitive bacterial strains. Solubilized fragments from such peptidoglycans perturb specific backbone and side chain amide resonances in the recombinant form of the domain designated rTRD as detected in two-dimensional {sup 1}H–{sup 15}N correlation NMR spectra. The affected residues comprise a shallow surface cleft on the protein surface near W115, N53, N117, and Q105 among others, which interacts with the peptide portion of the peptidoglycan. Calculations with AutoDock Vina provide models of the docking interface. There is approximate homology between the rTDR-peptidoglycan docking site and the antigen binding site of Fab antibodies with the immunoglobin fold. EDTA was also found to bind to rTRD, but at a site distinct from the proposed peptidoglycan docking site.

  9. 3D Display of Spacecraft Dynamics Using Real Telemetry

    Directory of Open Access Journals (Sweden)

    Sanguk Lee

    2002-12-01

    Full Text Available 3D display of spacecraft motion by using telemetry data received from satellite in real-time is described. Telemetry data are converted to the appropriate form for 3-D display by the real-time preprocessor. Stored playback telemetry data also can be processed for the display. 3D display of spacecraft motion by using real telemetry data provides intuitive comprehension of spacecraft dynamics.

  10. GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

    Science.gov (United States)

    Fang, Ye; Ding, Yun; Feinstein, Wei P.; Koppelman, David M.; Moreno, Juana; Jarrell, Mark; Ramanujam, J.; Brylinski, Michal

    2016-01-01

    Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules and their pharmacologically relevant protein targets. Because of a large number of drug candidates to be evaluated, an accurate and fast docking engine is a critical element of virtual screening. Consequently, highly optimized docking codes are of paramount importance for the effectiveness of virtual screening methods. In this communication, we describe the implementation, tuning and performance characteristics of GeauxDock, a recently developed molecular docking program. GeauxDock is built upon the Monte Carlo algorithm and features a novel scoring function combining physics-based energy terms with statistical and knowledge-based potentials. Developed specifically for heterogeneous computing platforms, the current version of GeauxDock can be deployed on modern, multi-core Central Processing Units (CPUs) as well as massively parallel accelerators, Intel Xeon Phi and NVIDIA Graphics Processing Unit (GPU). First, we carried out a thorough performance tuning of the high-level framework and the docking kernel to produce a fast serial code, which was then ported to shared-memory multi-core CPUs yielding a near-ideal scaling. Further, using Xeon Phi gives 1.9× performance improvement over a dual 10-core Xeon CPU, whereas the best GPU accelerator, GeForce GTX 980, achieves a speedup as high as 3.5×. On that account, GeauxDock can take advantage of modern heterogeneous architectures to considerably accelerate structure-based virtual screening applications. GeauxDock is open-sourced and publicly available at www.brylinski.org/geauxdock and https://figshare.com/articles/geauxdock_tar_gz/3205249. PMID:27420300

  11. GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing.

    Directory of Open Access Journals (Sweden)

    Ye Fang

    Full Text Available Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules and their pharmacologically relevant protein targets. Because of a large number of drug candidates to be evaluated, an accurate and fast docking engine is a critical element of virtual screening. Consequently, highly optimized docking codes are of paramount importance for the effectiveness of virtual screening methods. In this communication, we describe the implementation, tuning and performance characteristics of GeauxDock, a recently developed molecular docking program. GeauxDock is built upon the Monte Carlo algorithm and features a novel scoring function combining physics-based energy terms with statistical and knowledge-based potentials. Developed specifically for heterogeneous computing platforms, the current version of GeauxDock can be deployed on modern, multi-core Central Processing Units (CPUs as well as massively parallel accelerators, Intel Xeon Phi and NVIDIA Graphics Processing Unit (GPU. First, we carried out a thorough performance tuning of the high-level framework and the docking kernel to produce a fast serial code, which was then ported to shared-memory multi-core CPUs yielding a near-ideal scaling. Further, using Xeon Phi gives 1.9× performance improvement over a dual 10-core Xeon CPU, whereas the best GPU accelerator, GeForce GTX 980, achieves a speedup as high as 3.5×. On that account, GeauxDock can take advantage of modern heterogeneous architectures to considerably accelerate structure-based virtual screening applications. GeauxDock is open-sourced and publicly available at www.brylinski.org/geauxdock and https://figshare.com/articles/geauxdock_tar_gz/3205249.

  12. Attitude dynamics and control of a spacecraft like a robotic manipulator when implementing on-orbit servicing

    Science.gov (United States)

    Da Fonseca, Ijar M.; Goes, Luiz C. S.; Seito, Narumi; da Silva Duarte, Mayara K.; de Oliveira, Élcio Jeronimo

    2017-08-01

    In space the manipulators working space is characterized by the microgravity environment. In this environment the spacecraft floats and its rotational/translational motion may be excited by any internal and external disturbances. The complete system, i.e., the spacecraft and the associated robotic manipulator, floats and is sensitive to any reaction force and torque related to the manipulator's operation. In this sense the effort done by the robot may result in torque about the system center of mass and also in forces changing its translational motion. This paper analyzes the impact of the robot manipulator dynamics on the attitude motion and the associated control effort to keep the attitude stable during the manipulator's operation. The dynamics analysis is performed in the close proximity phase of rendezvous docking/berthing operation. In such scenario the linear system equations for the translation and attitude relative motions are appropriate. The computer simulations are implemented for the relative translational and rotational motion. The equations of motion have been simulated through computer by using the MatLab software. The LQR and the PID control laws are used for linear and nonlinear control, respectively, aiming to keep the attitude stable while the robot is in and out of service. The gravity-gradient and the residual magnetic torque are considered as external disturbances. The control efforts are analyzed for the manipulator in and out of service. The control laws allow the system stabilization and good performance when the manipulator is in service.

  13. Application of advanced electronics to a future spacecraft computer design

    Science.gov (United States)

    Carney, P. C.

    1980-01-01

    Advancements in hardware and software technology are summarized with specific emphasis on spacecraft computer capabilities. Available state of the art technology is reviewed and candidate architectures are defined.

  14. Addressing EO-1 Spacecraft Pulsed Plasma Thruster EMI Concerns

    Science.gov (United States)

    Zakrzwski, C. M.; Davis, Mitch; Sarmiento, Charles; Bauer, Frank H. (Technical Monitor)

    2001-01-01

    The Pulsed Plasma Thruster (PPT) Experiment on the Earth Observing One (EO-1) spacecraft has been designed to demonstrate the capability of a new generation PPT to perform spacecraft attitude control. Results from PPT unit level radiated electromagnetic interference (EMI) tests led to concerns about potential interference problems with other spacecraft subsystems. Initial plans to address these concerns included firing the PPT at the spacecraft level both in atmosphere, with special ground support equipment. and in vacuum. During the spacecraft level tests, additional concerns where raised about potential harm to the Advanced Land Imager (ALI). The inadequacy of standard radiated emission test protocol to address pulsed electromagnetic discharges and the lack of resources required to perform compatibility tests between the PPT and an ALI test unit led to changes in the spacecraft level validation plan. An EMI shield box for the PPT was constructed and validated for spacecraft level ambient testing. Spacecraft level vacuum tests of the PPT were deleted. Implementation of the shield box allowed for successful spacecraft level testing of the PPT while eliminating any risk to the ALI. The ALI demonstration will precede the PPT demonstration to eliminate any possible risk of damage of ALI from PPT operation.

  15. Simulator Facility for Attitude Control and Energy Storage of Spacecraft

    National Research Council Canada - National Science Library

    Tsiotras, Panagiotis

    2002-01-01

    This report concerns a designed and built experimental facility that will allow the conduction of experiments for validating advanced attitude control algorithms for spacecraft in a weightless environment...

  16. System and Method for Automated Rendezvous, Docking and Capture of Autonomous Underwater Vehicles

    Science.gov (United States)

    Stone, William C. (Inventor); Clark, Evan (Inventor); Richmond, Kristof (Inventor); Paulus, Jeremy (Inventor); Kapit, Jason (Inventor); Scully, Mark (Inventor); Kimball, Peter (Inventor)

    2018-01-01

    A system for automated rendezvous, docking, and capture of autonomous underwater vehicles at the conclusion of a mission comprising of comprised of a docking rod having lighted, pulsating (in both frequency and light intensity) series of LED light strips thereon, with the LEDs at a known spacing, and the autonomous underwater vehicle specially designed to detect and capture the docking rod and then be lifted structurally by a spherical end strop about which the vehicle can be pivoted and hoisted up (e.g., onto a ship). The method of recovery allows for very routine and reliable automated recovery of an unmanned underwater asset.

  17. istar: a web platform for large-scale protein-ligand docking.

    Directory of Open Access Journals (Sweden)

    Hongjian Li

    Full Text Available Protein-ligand docking is a key computational method in the design of starting points for the drug discovery process. We are motivated by the desire to automate large-scale docking using our popular docking engine idock and thus have developed a publicly-accessible web platform called istar. Without tedious software installation, users can submit jobs using our website. Our istar website supports 1 filtering ligands by desired molecular properties and previewing the number of ligands to dock, 2 monitoring job progress in real time, and 3 visualizing ligand conformations and outputting free energy and ligand efficiency predicted by idock, binding affinity predicted by RF-Score, putative hydrogen bonds, and supplier information for easy purchase, three useful features commonly lacked on other online docking platforms like DOCK Blaster or iScreen. We have collected 17,224,424 ligands from the All Clean subset of the ZINC database, and revamped our docking engine idock to version 2.0, further improving docking speed and accuracy, and integrating RF-Score as an alternative rescoring function. To compare idock 2.0 with the state-of-the-art AutoDock Vina 1.1.2, we have carried out a rescoring benchmark and a redocking benchmark on the 2,897 and 343 protein-ligand complexes of PDBbind v2012 refined set and CSAR NRC HiQ Set 24Sept2010 respectively, and an execution time benchmark on 12 diverse proteins and 3,000 ligands of different molecular weight. Results show that, under various scenarios, idock achieves comparable success rates while outperforming AutoDock Vina in terms of docking speed by at least 8.69 times and at most 37.51 times. When evaluated on the PDBbind v2012 core set, our istar platform combining with RF-Score manages to reproduce Pearson's correlation coefficient and Spearman's correlation coefficient of as high as 0.855 and 0.859 respectively between the experimental binding affinity and the predicted binding affinity of the docked

  18. istar: a web platform for large-scale protein-ligand docking.

    Science.gov (United States)

    Li, Hongjian; Leung, Kwong-Sak; Ballester, Pedro J; Wong, Man-Hon

    2014-01-01

    Protein-ligand docking is a key computational method in the design of starting points for the drug discovery process. We are motivated by the desire to automate large-scale docking using our popular docking engine idock and thus have developed a publicly-accessible web platform called istar. Without tedious software installation, users can submit jobs using our website. Our istar website supports 1) filtering ligands by desired molecular properties and previewing the number of ligands to dock, 2) monitoring job progress in real time, and 3) visualizing ligand conformations and outputting free energy and ligand efficiency predicted by idock, binding affinity predicted by RF-Score, putative hydrogen bonds, and supplier information for easy purchase, three useful features commonly lacked on other online docking platforms like DOCK Blaster or iScreen. We have collected 17,224,424 ligands from the All Clean subset of the ZINC database, and revamped our docking engine idock to version 2.0, further improving docking speed and accuracy, and integrating RF-Score as an alternative rescoring function. To compare idock 2.0 with the state-of-the-art AutoDock Vina 1.1.2, we have carried out a rescoring benchmark and a redocking benchmark on the 2,897 and 343 protein-ligand complexes of PDBbind v2012 refined set and CSAR NRC HiQ Set 24Sept2010 respectively, and an execution time benchmark on 12 diverse proteins and 3,000 ligands of different molecular weight. Results show that, under various scenarios, idock achieves comparable success rates while outperforming AutoDock Vina in terms of docking speed by at least 8.69 times and at most 37.51 times. When evaluated on the PDBbind v2012 core set, our istar platform combining with RF-Score manages to reproduce Pearson's correlation coefficient and Spearman's correlation coefficient of as high as 0.855 and 0.859 respectively between the experimental binding affinity and the predicted binding affinity of the docked conformation. istar

  19. Protein-protein docking using region-based 3D Zernike descriptors

    Directory of Open Access Journals (Sweden)

    Sael Lee

    2009-12-01

    Full Text Available Abstract Background Protein-protein interactions are a pivotal component of many biological processes and mediate a variety of functions. Knowing the tertiary structure of a protein complex is therefore essential for understanding the interaction mechanism. However, experimental techniques to solve the structure of the complex are often found to be difficult. To this end, computational protein-protein docking approaches can provide a useful alternative to address this issue. Prediction of docking conformations relies on methods that effectively capture shape features of the participating proteins while giving due consideration to conformational changes that may occur. Results We present a novel protein docking algorithm based on the use of 3D Zernike descriptors as regional features of molecular shape. The key motivation of using these descriptors is their invariance to transformation, in addition to a compact representation of local surface shape characteristics. Docking decoys are generated using geometric hashing, which are then ranked by a scoring function that incorporates a buried surface area and a novel geometric complementarity term based on normals associated with the 3D Zernike shape description. Our docking algorithm was tested on both bound and unbound cases in the ZDOCK benchmark 2.0 dataset. In 74% of the bound docking predictions, our method was able to find a near-native solution (interface C-αRMSD ≤ 2.5 Å within the top 1000 ranks. For unbound docking, among the 60 complexes for which our algorithm returned at least one hit, 60% of the cases were ranked within the top 2000. Comparison with existing shape-based docking algorithms shows that our method has a better performance than the others in unbound docking while remaining competitive for bound docking cases. Conclusion We show for the first time that the 3D Zernike descriptors are adept in capturing shape complementarity at the protein-protein interface and useful for

  20. Determining Spacecraft Reaction Wheel Friction Parameters

    Science.gov (United States)

    Sarani, Siamak

    2009-01-01

    Software was developed to characterize the drag in each of the Cassini spacecraft's Reaction Wheel Assemblies (RWAs) to determine the RWA friction parameters. This tool measures the drag torque of RWAs for not only the high spin rates (greater than 250 RPM), but also the low spin rates (less than 250 RPM) where there is a lack of an elastohydrodynamic boundary layer in the bearings. RWA rate and drag torque profiles as functions of time are collected via telemetry once every 4 seconds and once every 8 seconds, respectively. Intermediate processing steps single-out the coast-down regions. A nonlinear model for the drag torque as a function of RWA spin rate is incorporated in order to characterize the low spin rate regime. The tool then uses a nonlinear parameter optimization algorithm based on the Nelder-Mead simplex method to determine the viscous coefficient, the Dahl friction, and the two parameters that account for the low spin-rate behavior.

  1. A spacecraft computer repairable via command.

    Science.gov (United States)

    Fimmel, R. O.; Baker, T. E.

    1971-01-01

    The MULTIPAC is a central data system developed for deep-space probes with the distinctive feature that it may be repaired during flight via command and telemetry links by reprogramming around the failed unit. The computer organization uses pools of identical modules which the program organizes into one or more computers called processors. The interaction of these modules is dynamically controlled by the program rather than hardware. In the event of a failure, new programs are entered which reorganize the central data system with a somewhat reduced total processing capability aboard the spacecraft. Emphasis is placed on the evolution of the system architecture and the final overall system design rather than the specific logic design.

  2. Cometary dust size distributions from flyby spacecraft

    International Nuclear Information System (INIS)

    Divine, N.

    1988-01-01

    Pior to the Halley flybys in 1986, the distribution of cometary dust grains with particle size were approximated using models which provided reasonable fits to the dynamics of dust tails, anti-tails, and infrared spectra. These distributions have since been improved using fluence data (i.e., particle fluxes integrated over time along the flyby trajectory) from three spacecraft. The fluence derived distributions are appropriate for comparison with simultaneous infrared photometry (from Earth) because they sample the particles in the same way as the IR data do (along the line of sight) and because they are directly proportional to the concentration distribution in that region of the coma which dominates the IR emission

  3. A corrector for spacecraft calculated electron moments

    Directory of Open Access Journals (Sweden)

    J. Geach

    2005-03-01

    Full Text Available We present the application of a numerical method to correct electron moments calculated on-board spacecraft from the effects of potential broadening and energy range truncation. Assuming a shape for the natural distribution of the ambient plasma and employing the scalar approximation, the on-board moments can be represented as non-linear integral functions of the underlying distribution. We have implemented an algorithm which inverts this system successfully over a wide range of parameters for an assumed underlying drifting Maxwellian distribution. The outputs of the solver are the corrected electron plasma temperature Te, density Ne and velocity vector Ve. We also make an estimation of the temperature anisotropy A of the distribution. We present corrected moment data from Cluster's PEACE experiment for a range of plasma environments and make comparisons with electron and ion data from other Cluster instruments, as well as the equivalent ground-based calculations using full 3-D distribution PEACE telemetry.

  4. Generating Animated Displays of Spacecraft Orbits

    Science.gov (United States)

    Candey, Robert M.; Chimiak, Reine A.; Harris, Bernard T.

    2005-01-01

    Tool for Interactive Plotting, Sonification, and 3D Orbit Display (TIPSOD) is a computer program for generating interactive, animated, four-dimensional (space and time) displays of spacecraft orbits. TIPSOD utilizes the programming interface of the Satellite Situation Center Web (SSCWeb) services to communicate with the SSC logic and database by use of the open protocols of the Internet. TIPSOD is implemented in Java 3D and effects an extension of the preexisting SSCWeb two-dimensional static graphical displays of orbits. Orbits can be displayed in any or all of the following seven reference systems: true-of-date (an inertial system), J2000 (another inertial system), geographic, geomagnetic, geocentric solar ecliptic, geocentric solar magnetospheric, and solar magnetic. In addition to orbits, TIPSOD computes and displays Sibeck's magnetopause and Fairfield's bow-shock surfaces. TIPSOD can be used by the scientific community as a means of projection or interpretation. It also has potential as an educational tool.

  5. Planning Inmarsat's second generation of spacecraft

    Science.gov (United States)

    Williams, W. P.

    1982-09-01

    The next generation of studies of the Inmarsat service are outlined, such as traffic forecasting studies, communications capacity estimates, space segment design, cost estimates, and financial analysis. Traffic forecasting will require future demand estimates, and a computer model has been developed which estimates demand over the Atlantic, Pacific, and Indian ocean regions. Communications estimates are based on traffic estimates, as a model converts traffic demand into a required capacity figure for a given area. The Erlang formula is used, requiring additional data such as peak hour ratios and distribution estimates. Basic space segment technical requirements are outlined (communications payload, transponder arrangements, etc), and further design studies involve such areas as space segment configuration, launcher and spacecraft studies, transmission planning, and earth segment configurations. Cost estimates of proposed design parameters will be performed, but options must be reduced to make construction feasible. Finally, a financial analysis will be carried out in order to calculate financial returns.

  6. Flight mission control for multiple spacecraft

    Science.gov (United States)

    Ryan, Robert E.

    1990-10-01

    A plan developed by the Jet Propulsion Laboratory for mission control of unmanned spacecraft is outlined. A technical matrix organization from which, in the past, project teams were formed to uniquely support a mission is replaced in this new plan. A cost effective approach was needed to make best use of limited resources. Mission control is a focal point operations and a good place to start a multimission concept. Co-location and sharing common functions are the keys to obtaining efficiencies at minimum additional risk. For the projects, the major changes are sharing a common operations area and having indirect control of personnel. The plan identifies the still direct link for the mission control functions. Training is a major element in this plan. Personnel are qualified for a position and certified for a mission. This concept is more easily accepted by new missions than the ongoing missions.

  7. High Gain Antenna Calibration on Three Spacecraft

    Science.gov (United States)

    Hashmall, Joseph A.

    2011-01-01

    This paper describes the alignment calibration of spacecraft High Gain Antennas (HGAs) for three missions. For two of the missions (the Lunar Reconnaissance Orbiter and the Solar Dynamics Observatory) the calibration was performed on orbit. For the third mission (the Global Precipitation Measurement core satellite) ground simulation of the calibration was performed in a calibration feasibility study. These three satellites provide a range of calibration situations-Lunar orbit transmitting to a ground antenna for LRO, geosynchronous orbit transmitting to a ground antenna fer SDO, and low Earth orbit transmitting to TDRS satellites for GPM The calibration results depend strongly on the quality and quantity of calibration data. With insufficient data the calibration Junction may give erroneous solutions. Manual intervention in the calibration allowed reliable parameters to be generated for all three missions.

  8. Human factors issues for interstellar spacecraft

    Science.gov (United States)

    Cohen, Marc M.; Brody, Adam R.

    1991-01-01

    Developments in research on space human factors are reviewed in the context of a self-sustaining interstellar spacecraft based on the notion of traveling space settlements. Assumptions about interstellar travel are set forth addressing costs, mission durations, and the need for multigenerational space colonies. The model of human motivation by Maslow (1970) is examined and directly related to the design of space habitat architecture. Human-factors technology issues encompass the human-machine interface, crew selection and training, and the development of spaceship infrastructure during transtellar flight. A scenario for feasible instellar travel is based on a speed of 0.5c, a timeframe of about 100 yr, and an expandable multigenerational crew of about 100 members. Crew training is identified as a critical human-factors issue requiring the development of perceptual and cognitive aids such as expert systems and virtual reality.

  9. Rechargeable metal hydrides for spacecraft application

    Science.gov (United States)

    Perry, J. L.

    1988-01-01

    Storing hydrogen on board the Space Station presents both safety and logistics problems. Conventional storage using pressurized bottles requires large masses, pressures, and volumes to handle the hydrogen to be used in experiments in the U.S. Laboratory Module and residual hydrogen generated by the ECLSS. Rechargeable metal hydrides may be competitive with conventional storage techniques. The basic theory of hydride behavior is presented and the engineering properties of LaNi5 are discussed to gain a clear understanding of the potential of metal hydrides for handling spacecraft hydrogen resources. Applications to Space Station and the safety of metal hydrides are presented and compared to conventional hydride storage. This comparison indicates that metal hydrides may be safer and require lower pressures, less volume, and less mass to store an equivalent mass of hydrogen.

  10. Space power systems--''Spacecraft 2000''

    International Nuclear Information System (INIS)

    Faymon, K.A.

    1985-01-01

    The National Space programs of the 21st century will require abundant and relatively low cost power and energy produced by high reliability-low mass systems. Advancement of current power system related technologies will enable the U.S. to realize increased scientific payload for government missions or increased revenue producing payload for commercial space endeavors. Autonomous, unattended operation will be a highly desirable characteristic of these advanced power systems. Those space power-energy related technologies, which will comprise the space craft of the late 1990's and the early 2000's, will evolve from today's state-of-the-art systems and those long term technology development programs presently in place. However, to foster accelerated development of the more critical technologies which have the potential for high-payoffs, additional programs will be proposed and put in place between now and the end of the century. Such a program is ''Spacecraft 2000'', which is described in this paper

  11. Optimal trajectories of aircraft and spacecraft

    Science.gov (United States)

    Miele, A.

    1990-01-01

    Work done on algorithms for the numerical solutions of optimal control problems and their application to the computation of optimal flight trajectories of aircraft and spacecraft is summarized. General considerations on calculus of variations, optimal control, numerical algorithms, and applications of these algorithms to real-world problems are presented. The sequential gradient-restoration algorithm (SGRA) is examined for the numerical solution of optimal control problems of the Bolza type. Both the primal formulation and the dual formulation are discussed. Aircraft trajectories, in particular, the application of the dual sequential gradient-restoration algorithm (DSGRA) to the determination of optimal flight trajectories in the presence of windshear are described. Both take-off trajectories and abort landing trajectories are discussed. Take-off trajectories are optimized by minimizing the peak deviation of the absolute path inclination from a reference value. Abort landing trajectories are optimized by minimizing the peak drop of altitude from a reference value. Abort landing trajectories are optimized by minimizing the peak drop of altitude from a reference value. The survival capability of an aircraft in a severe windshear is discussed, and the optimal trajectories are found to be superior to both constant pitch trajectories and maximum angle of attack trajectories. Spacecraft trajectories, in particular, the application of the primal sequential gradient-restoration algorithm (PSGRA) to the determination of optimal flight trajectories for aeroassisted orbital transfer are examined. Both the coplanar case and the noncoplanar case are discussed within the frame of three problems: minimization of the total characteristic velocity; minimization of the time integral of the square of the path inclination; and minimization of the peak heating rate. The solution of the second problem is called nearly-grazing solution, and its merits are pointed out as a useful

  12. Radiation shielding calculations for the vista spacecraft

    International Nuclear Information System (INIS)

    Sahin, Suemer; Sahin, Haci Mehmet; Acir, Adem

    2005-01-01

    The VISTA spacecraft design concept has been proposed for manned or heavy cargo deep space missions beyond earth orbit with inertial fusion energy propulsion. Rocket propulsion is provided by fusion power deposited in the inertial confined fuel pellet debris and with the help of a magnetic nozzle. The calculations for the radiation shielding have been revised under the fact that the highest jet efficiency of the vehicle could be attained only if the propelling plasma would have a narrow temperature distribution. The shield mass could be reduced from 600 tons in the original design to 62 tons. Natural and enriched lithium were the principle shielding materials. The allowable nuclear heating in the superconducting magnet coils (up to 5 mW/cm 3 ) is taken as the crucial criterion for dimensioning the radiation shielding structure of the spacecraft. The space craft mass is 6000 tons. Total peak nuclear power density in the coils is calculated as ∼5.0 mW/cm 3 for a fusion power output of 17 500 MW. The peak neutron heating density is ∼2.0 mW/cm 3 , and the peak γ-ray heating density is ∼3.0 mW/cm 3 (on different points) using natural lithium in the shielding. However, the volume averaged heat generation in the coils is much lower, namely 0.21, 0.71 and 0.92 mW/cm 3 for the neutron, γ-ray and total nuclear heating, respectively. The coil heating will be slightly lower if highly enriched 6 Li (90%) is used instead of natural lithium. Peak values are then calculated as 2.05, 2.15 and 4.2 mW/cm 3 for the neutron, γ-ray and total nuclear heating, respectively. The corresponding volume averaged heat generation in the coils became 0.19, 0.58 and 0.77 mW/cm 3

  13. Multiple spacecraft observations of interplanetary shocks: four spacecraft determination of shock normals

    International Nuclear Information System (INIS)

    Russell, C.T.; Mellott, M.M.; Smith, E.J.; King, J.H.

    1983-01-01

    ISEE 1,2,3 IMP8, and Prognoz 7 observations of interplanetary shocks in 1978 and 1979 provide five instances where a single shock is observed by four spacecraft. These observations are used to determine best-fit normals for these five shocks. In addition to providing well-documented shocks for furture techniques. When the angle between upstream and downstream magnetic field is greater than 20, magnetic coplanarity can be an accurate single spacecraft method. However, no technique based solely on the magnetic measurements at one or multiple sites was universally accurate. Thus, we recommend using overdetermined shock normal solutions whenever possible, utilizing plasma measurements, separation vectors, and time delays together with magnetic constraints

  14. Multiple spacecraft observations of interplanetary shocks Four spacecraft determination of shock normals

    Science.gov (United States)

    Russell, C. T.; Mellott, M. M.; Smith, E. J.; King, J. H.

    1983-01-01

    ISEE 1, 2, 3, IMP 8, and Prognoz 7 observations of interplanetary shocks in 1978 and 1979 provide five instances where a single shock is observed by four spacecraft. These observations are used to determine best-fit normals for these five shocks. In addition to providing well-documented shocks for future investigations these data allow the evaluation of the accuracy of several shock normal determination techniques. When the angle between upstream and downstream magnetic field is greater than 20 deg, magnetic coplanarity can be an accurate single spacecraft method. However, no technique based solely on the magnetic measurements at one or multiple sites was universally accurate. Thus, the use of overdetermined shock normal solutions, utilizing plasma measurements, separation vectors, and time delays together with magnetic constraints, is recommended whenever possible.

  15. Tail Docking of Canine Puppies: Reassessment of the Tail's Role in Communication, the Acute Pain Caused by Docking and Interpretation of Behavioural Responses.

    Science.gov (United States)

    Mellor, David J

    2018-05-31

    Laws, regulations and professional standards increasingly aim to ban or restrict non-therapeutic tail docking in canine puppies. These constraints have usually been justified by reference to loss of tail participation in communication between dogs, the acute pain presumed to be caused during docking itself, subsequent experiences of chronic pain and heightened pain sensitivity, and the occurrence of other complications. These areas are reconsidered here. First, a scientifically robust examination of the dynamic functional foundations, sensory components and key features of body language that are integral to canine communication shows that the role of the tail has been greatly underestimated. More specifically, it shows that tail behaviour is so embedded in canine communication that docking can markedly impede unambiguous interactions between different dogs and between dogs and people. These interactions include the expression of wide ranges of both negative and positive emotions, moods and intentions that are of daily significance for dog welfare. Moreover, all docked dogs may experience these impediments throughout their lives, which challenges assertions by opponents to such bans or restrictions that the tail is a dispensable appendage. Second, and in contrast, a re-examination of the sensory capacities of canine puppies reveals that they cannot consciously experience acute or chronic pain during at least the first week after birth, which is when they are usually docked. The contrary view is based on questionable between-species extrapolation of information about pain from neurologically mature newborns such as calves, lambs, piglets and human infants, which certainly can consciously experience pain in response to injury, to neurologically immature puppies which remain unconscious and therefore unable to experience pain until about two weeks after birth. Third, underpinned by the incorrect conclusion that puppies are conscious at the usual docking age, it is

  16. Tail Docking of Canine Puppies: Reassessment of the Tail’s Role in Communication, the Acute Pain Caused by Docking and Interpretation of Behavioural Responses

    Directory of Open Access Journals (Sweden)

    David J. Mellor

    2018-05-01

    Full Text Available Laws, regulations and professional standards increasingly aim to ban or restrict non-therapeutic tail docking in canine puppies. These constraints have usually been justified by reference to loss of tail participation in communication between dogs, the acute pain presumed to be caused during docking itself, subsequent experiences of chronic pain and heightened pain sensitivity, and the occurrence of other complications. These areas are reconsidered here. First, a scientifically robust examination of the dynamic functional foundations, sensory components and key features of body language that are integral to canine communication shows that the role of the tail has been greatly underestimated. More specifically, it shows that tail behaviour is so embedded in canine communication that docking can markedly impede unambiguous interactions between different dogs and between dogs and people. These interactions include the expression of wide ranges of both negative and positive emotions, moods and intentions that are of daily significance for dog welfare. Moreover, all docked dogs may experience these impediments throughout their lives, which challenges assertions by opponents to such bans or restrictions that the tail is a dispensable appendage. Second, and in contrast, a re-examination of the sensory capacities of canine puppies reveals that they cannot consciously experience acute or chronic pain during at least the first week after birth, which is when they are usually docked. The contrary view is based on questionable between-species extrapolation of information about pain from neurologically mature newborns such as calves, lambs, piglets and human infants, which certainly can consciously experience pain in response to injury, to neurologically immature puppies which remain unconscious and therefore unable to experience pain until about two weeks after birth. Third, underpinned by the incorrect conclusion that puppies are conscious at the usual

  17. Boring crustaceans damage polystyrene floats under docks polluting marine waters with microplastic.

    Science.gov (United States)

    Davidson, Timothy M

    2012-09-01

    Boring isopods damage expanded polystyrene floats under docks and, in the process, expel copious numbers of microplastic particles. This paper describes the impacts of boring isopods in aquaculture facilities and docks, quantifies and discusses the implications of these microplastics, and tests if an alternate foam type prevents boring. Floats from aquaculture facilities and docks were heavily damaged by thousands of isopods and their burrows. Multiple sites in Asia, Australia, Panama, and the USA exhibited evidence of isopod damage. One isopod creates thousands of microplastic particles when excavating a burrow; colonies can expel millions of particles. Microplastics similar in size to these particles may facilitate the spread of non-native species or be ingested by organisms causing physical or toxicological harm. Extruded polystyrene inhibited boring, suggesting this foam may prevent damage in the field. These results reveal boring isopods cause widespread damage to docks and are a novel source of microplastic pollution. Copyright © 2012 Elsevier Ltd. All rights reserved.

  18. Ranking multiple docking solutions based on the conservation of inter-residue contacts

    KAUST Repository

    Oliva, Romina M.; Vangone, Anna; Cavallo, Luigi

    2013-01-01

    ) conformations in the top positions is still an open problem. Herein we present CONSRANK, a simple and effective tool to rank multiple docking solutions, which relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. First

  19. AggieSat: Autonomous Rendezvous and Docking Technology Demonstrator, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Current autonomous rendezvous and docking (AR&D) capability in low Earth orbit (LEO) is constrained by sensor and effector mass, power, and accuracy limits. To...

  20. In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents

    Directory of Open Access Journals (Sweden)

    Vikas Sharma

    2016-01-01

    Full Text Available Docking studies are proved to be an essential tool that facilitates the structural diversity of natural products to be harnessed in an organized manner. In this study, pyridoacridines containing natural anticancer pigments were subjected to docking studies using Glide (Schrodinger. Investigations were carried out to find out the potential molecular targets for these selected pigments. The docking was carried out on different cancer macromolecules involved in different cell cycle pathways, that is, CDK-2, CDK-6, Bcl-2, VEGFR-2, IGF-1R kinase, and G-Quadruplexes. CDK-6 was found to be the most suitable anticancer target for the pyridoacridines. In addition, effectiveness of the study was further evaluated by performing docking of known inhibitors against their respective selected macromolecules. However, the results are preliminary and experimental evaluation will be carried out in near future.

  1. FlexAID: Revisiting Docking on Non-Native-Complex Structures.

    Science.gov (United States)

    Gaudreault, Francis; Najmanovich, Rafael J

    2015-07-27

    Small-molecule protein docking is an essential tool in drug design and to understand molecular recognition. In the present work we introduce FlexAID, a small-molecule docking algorithm that accounts for target side-chain flexibility and utilizes a soft scoring function, i.e. one that is not highly dependent on specific geometric criteria, based on surface complementarity. The pairwise energy parameters were derived from a large dataset of true positive poses and negative decoys from the PDBbind database through an iterative process using Monte Carlo simulations. The prediction of binding poses is tested using the widely used Astex dataset as well as the HAP2 dataset, while performance in virtual screening is evaluated using a subset of the DUD dataset. We compare FlexAID to AutoDock Vina, FlexX, and rDock in an extensive number of scenarios to understand the strengths and limitations of the different programs as well as to reported results for Glide, GOLD, and DOCK6 where applicable. The most relevant among these scenarios is that of docking on flexible non-native-complex structures where as is the case in reality, the target conformation in the bound form is not known a priori. We demonstrate that FlexAID, unlike other programs, is robust against increasing structural variability. FlexAID obtains equivalent sampling success as GOLD and performs better than AutoDock Vina or FlexX in all scenarios against non-native-complex structures. FlexAID is better than rDock when there is at least one critical side-chain movement required upon ligand binding. In virtual screening, FlexAID results are lower on average than those of AutoDock Vina and rDock. The higher accuracy in flexible targets where critical movements are required, intuitive PyMOL-integrated graphical user interface and free source code as well as precompiled executables for Windows, Linux, and Mac OS make FlexAID a welcome addition to the arsenal of existing small-molecule protein docking methods.

  2. Trajectory Control of Rendezvous with Maneuver Target Spacecraft

    Science.gov (United States)

    Zhou, Zhinqiang

    2012-01-01

    In this paper, a nonlinear trajectory control algorithm of rendezvous with maneuvering target spacecraft is presented. The disturbance forces on the chaser and target spacecraft and the thrust forces on the chaser spacecraft are considered in the analysis. The control algorithm developed in this paper uses the relative distance and relative velocity between the target and chaser spacecraft as the inputs. A general formula of reference relative trajectory of the chaser spacecraft to the target spacecraft is developed and applied to four different proximity maneuvers, which are in-track circling, cross-track circling, in-track spiral rendezvous and cross-track spiral rendezvous. The closed-loop differential equations of the proximity relative motion with the control algorithm are derived. It is proven in the paper that the tracking errors between the commanded relative trajectory and the actual relative trajectory are bounded within a constant region determined by the control gains. The prediction of the tracking errors is obtained. Design examples are provided to show the implementation of the control algorithm. The simulation results show that the actual relative trajectory tracks the commanded relative trajectory tightly. The predicted tracking errors match those calculated in the simulation results. The control algorithm developed in this paper can also be applied to interception of maneuver target spacecraft and relative trajectory control of spacecraft formation flying.

  3. Rockets and spacecraft: Sine qua non of space science

    Science.gov (United States)

    1980-01-01

    The evolution of the national launch vehicle stable is presented along with lists of launch vehicles used in NASA programs. A partial list of spacecraft used throughout the world is also given. Scientific spacecraft costs are presented along with an historial overview of project development and funding in NASA.

  4. Design feasibility via ascent optimality for next-generation spacecraft

    Science.gov (United States)

    Miele, A.; Mancuso, S.

    This paper deals with the optimization of the ascent trajectories for single-stage-sub-orbit (SSSO), single-stage-to-orbit (SSTO), and two-stage-to-orbit (TSTO) rocket-powered spacecraft. The maximum payload weight problem is studied for different values of the engine specific impulse and spacecraft structural factor. The main conclusions are that: feasibility of SSSO spacecraft is guaranteed for all the parameter combinations considered; feasibility of SSTO spacecraft depends strongly on the parameter combination chosen; not only feasibility of TSTO spacecraft is guaranteed for all the parameter combinations considered, but the TSTO payload is several times the SSTO payload. Improvements in engine specific impulse and spacecraft structural factor are desirable and crucial for SSTO feasibility; indeed, aerodynamic improvements do not yield significant improvements in payload. For SSSO, SSTO, and TSTO spacecraft, simple engineering approximations are developed connecting the maximum payload weight to the engine specific impulse and spacecraft structural factor. With reference to the specific impulse/structural factor domain, these engineering approximations lead to the construction of zero-payload lines separating the feasibility region (positive payload) from the unfeasibility region (negative payload).

  5. Spacecraft Charging Modeling -- Nascap-2k 2014 Annual Report

    Science.gov (United States)

    2014-09-19

    appears to work similarly in Internet Explorer, FireFox , and Opera, but fails in Safari and Chrome. Note that the SEE Spacecraft Charging Handbook is... Characteristics of Spacecraft Charging in Low Earth Orbit, J Geophys Res. 11 7, doi: 10.1029/20 11JA016875, 2012. 2 M. Cho, K. Saito, T. Hamanaga, Data

  6. Precise Relative Positioning of Formation Flying Spacecraft using GPS

    NARCIS (Netherlands)

    Kroes, R.

    2006-01-01

    Spacecraft formation flying is considered as a key technology for advanced space missions. Compared to large individual spacecraft, the distribution of sensor systems amongst multiple platforms offers improved flexibility, shorter times to mission, and the prospect of being more cost effective.

  7. Spacecraft attitude determination using the earth's magnetic field

    Science.gov (United States)

    Simpson, David G.

    1989-01-01

    A method is presented by which the attitude of a low-Earth orbiting spacecraft may be determined using a vector magnetometer, a digital Sun sensor, and a mathematical model of the Earth's magnetic field. The method is currently being implemented for the Solar Maximum Mission spacecraft (as a backup for the failing star trackers) as a way to determine roll gyro drift.

  8. A Comparison of Learning Technologies for Teaching Spacecraft Software Development

    Science.gov (United States)

    Straub, Jeremy

    2014-01-01

    The development of software for spacecraft represents a particular challenge and is, in many ways, a worst case scenario from a design perspective. Spacecraft software must be "bulletproof" and operate for extended periods of time without user intervention. If the software fails, it cannot be manually serviced. Software failure may…

  9. Cooperative Rendezvous and Docking for Underwater Robots Using Model Predictive Control and Dual Decomposition

    DEFF Research Database (Denmark)

    Nielsen, Mikkel Cornelius; Johansen, Tor Arne; Blanke, Mogens

    2018-01-01

    This paper considers the problem of rendezvous and docking with visual constraints in the context of underwater robots with camera-based navigation. The objective is the convergence of the vehicles to a common point while maintaining visual contact. The proposed solution includes the design of a ...... of a distributed model predictive controller based on dual decomposition, which allows for optimization in a decentralized fashion. The proposed distributed controller enables rendezvous and docking between vehicles while maintaining visual contact....

  10. Vision Based Navigation for Autonomous Cooperative Docking of CubeSats

    Science.gov (United States)

    Pirat, Camille; Ankersen, Finn; Walker, Roger; Gass, Volker

    2018-05-01

    A realistic rendezvous and docking navigation solution applicable to CubeSats is investigated. The scalability analysis of the ESA Autonomous Transfer Vehicle Guidance, Navigation & Control (GNC) performances and the Russian docking system, shows that the docking of two CubeSats would require a lateral control performance of the order of 1 cm. Line of sight constraints and multipath effects affecting Global Navigation Satellite System (GNSS) measurements in close proximity prevent the use of this sensor for the final approach. This consideration and the high control accuracy requirement led to the use of vision sensors for the final 10 m of the rendezvous and docking sequence. A single monocular camera on the chaser satellite and various sets of Light-Emitting Diodes (LEDs) on the target vehicle ensure the observability of the system throughout the approach trajectory. The simple and novel formulation of the measurement equations allows differentiating unambiguously rotations from translations between the target and chaser docking port and allows a navigation performance better than 1 mm at docking. Furthermore, the non-linear measurement equations can be solved in order to provide an analytic navigation solution. This solution can be used to monitor the navigation filter solution and ensure its stability, adding an extra layer of robustness for autonomous rendezvous and docking. The navigation filter initialization is addressed in detail. The proposed method is able to differentiate LEDs signals from Sun reflections as demonstrated by experimental data. The navigation filter uses a comprehensive linearised coupled rotation/translation dynamics, describing the chaser to target docking port motion. The handover, between GNSS and vision sensor measurements, is assessed. The performances of the navigation function along the approach trajectory is discussed.

  11. A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements.

    Science.gov (United States)

    Powers, Chelsea N; Setzer, William N

    2015-01-01

    The purpose of this study is to use a molecular docking approach to identify potential estrogen mimics or anti-estrogens in phytochemicals found in popular dietary herbal supplements. In this study, 568 phytochemicals found in 17 of the most popular herbal supplements sold in the United States were built and docked with two isoforms of the estrogen receptor, ERα and ERβ (a total of 27 different protein crystal structures). The docking results revealed six strongly docking compounds in Echinacea, three from milk thistle (Silybum marianum), three from Gingko biloba, one from Sambucus nigra, none from maca (Lepidium meyenii), five from chaste tree (Vitex agnus-castus), two from fenugreek (Trigonella foenum-graecum), and two from Rhodiola rosea. Notably, of the most popular herbal supplements for women, there were numerous compounds that docked strongly with the estrogen receptor: Licorice (Glycyrrhiza glabra) had a total of 26 compounds strongly docking to the estrogen receptor, 15 with wild yam (Dioscorea villosa), 11 from black cohosh (Actaea racemosa), eight from muira puama (Ptychopetalum olacoides or P. uncinatum), eight from red clover (Trifolium pratense), three from damiana (Turnera aphrodisiaca or T. diffusa), and three from dong quai (Angelica sinensis). Of possible concern were the compounds from men's herbal supplements that exhibited strong docking to the estrogen receptor: Gingko biloba had three compounds, gotu kola (Centella asiatica) had two, muira puama (Ptychopetalum olacoides or P. uncinatum) had eight, and Tribulus terrestris had six compounds. This molecular docking study has revealed that almost all popular herbal supplements contain phytochemical components that may bind to the human estrogen receptor and exhibit selective estrogen receptor modulation. As such, these herbal supplements may cause unwanted side effects related to estrogenic activity.

  12. Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms.

    Science.gov (United States)

    Sulimov, Alexey V; Zheltkov, Dmitry A; Oferkin, Igor V; Kutov, Danil C; Katkova, Ekaterina V; Tyrtyshnikov, Eugene E; Sulimov, Vladimir B

    2017-01-01

    We present the novel docking algorithm based on the Tensor Train decomposition and the TT-Cross global optimization. The algorithm is applied to the docking problem with flexible ligand and moveable protein atoms. The energy of the protein-ligand complex is calculated in the frame of the MMFF94 force field in vacuum. The grid of precalculated energy potentials of probe ligand atoms in the field of the target protein atoms is not used. The energy of the protein-ligand complex for any given configuration is computed directly with the MMFF94 force field without any fitting parameters. The conformation space of the system coordinates is formed by translations and rotations of the ligand as a whole, by the ligand torsions and also by Cartesian coordinates of the selected target protein atoms. Mobility of protein and ligand atoms is taken into account in the docking process simultaneously and equally. The algorithm is realized in the novel parallel docking SOL-P program and results of its performance for a set of 30 protein-ligand complexes are presented. Dependence of the docking positioning accuracy is investigated as a function of parameters of the docking algorithm and the number of protein moveable atoms. It is shown that mobility of the protein atoms improves docking positioning accuracy. The SOL-P program is able to perform docking of a flexible ligand into the active site of the target protein with several dozens of protein moveable atoms: the native crystallized ligand pose is correctly found as the global energy minimum in the search space with 157 dimensions using 4700 CPU ∗ h at the Lomonosov supercomputer.

  13. Protein-protein docking using region-based 3D Zernike descriptors.

    Science.gov (United States)

    Venkatraman, Vishwesh; Yang, Yifeng D; Sael, Lee; Kihara, Daisuke

    2009-12-09

    Protein-protein interactions are a pivotal component of many biological processes and mediate a variety of functions. Knowing the tertiary structure of a protein complex is therefore essential for understanding the interaction mechanism. However, experimental techniques to solve the structure of the complex are often found to be difficult. To this end, computational protein-protein docking approaches can provide a useful alternative to address this issue. Prediction of docking conformations relies on methods that effectively capture shape features of the participating proteins while giving due consideration to conformational changes that may occur. We present a novel protein docking algorithm based on the use of 3D Zernike descriptors as regional features of molecular shape. The key motivation of using these descriptors is their invariance to transformation, in addition to a compact representation of local surface shape characteristics. Docking decoys are generated using geometric hashing, which are then ranked by a scoring function that incorporates a buried surface area and a novel geometric complementarity term based on normals associated with the 3D Zernike shape description. Our docking algorithm was tested on both bound and unbound cases in the ZDOCK benchmark 2.0 dataset. In 74% of the bound docking predictions, our method was able to find a near-native solution (interface C-alphaRMSD 3D Zernike descriptors are adept in capturing shape complementarity at the protein-protein interface and useful for protein docking prediction. Rigorous benchmark studies show that our docking approach has a superior performance compared to existing methods.

  14. Automated waste canister docking and emplacement using a sensor-based intelligent controller

    International Nuclear Information System (INIS)

    Drotning, W.D.

    1992-08-01

    A sensor-based intelligent control system is described that utilizes a multiple degree-of-freedom robotic system for the automated remote manipulation and precision docking of large payloads such as waste canisters. Computer vision and ultrasonic proximity sensing are used to control the automated precision docking of a large object with a passive target cavity. Real-time sensor processing and model-based analysis are used to control payload position to a precision of ± 0.5 millimeter

  15. Ranking multiple docking solutions based on the conservation of inter-residue contacts

    KAUST Repository

    Oliva, Romina M.

    2013-06-17

    Molecular docking is the method of choice for investigating the molecular basis of recognition in a large number of functional protein complexes. However, correctly scoring the obtained docking solutions (decoys) to rank native-like (NL) conformations in the top positions is still an open problem. Herein we present CONSRANK, a simple and effective tool to rank multiple docking solutions, which relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. First it calculates a conservation rate for each inter-residue contact, then it ranks decoys according to their ability to match the more frequently observed contacts. We applied CONSRANK to 102 targets from three different benchmarks, RosettaDock, DOCKGROUND, and Critical Assessment of PRedicted Interactions (CAPRI). The method performs consistently well, both in terms of NL solutions ranked in the top positions and of values of the area under the receiver operating characteristic curve. Its ideal application is to solutions coming from different docking programs and procedures, as in the case of CAPRI targets. For all the analyzed CAPRI targets where a comparison is feasible, CONSRANK outperforms the CAPRI scorers. The fraction of NL solutions in the top ten positions in the RosettaDock, DOCKGROUND, and CAPRI benchmarks is enriched on average by a factor of 3.0, 1.9, and 9.9, respectively. Interestingly, CONSRANK is also able to specifically single out the high/medium quality (HMQ) solutions from the docking decoys ensemble: it ranks 46.2 and 70.8% of the total HMQ solutions available for the RosettaDock and CAPRI targets, respectively, within the top 20 positions. © 2013 Wiley Periodicals, Inc.

  16. Low cost spacecraft computers: Oxymoron or future trend?

    Science.gov (United States)

    Manning, Robert M.

    1993-01-01

    Over the last few decades, application of current terrestrial computer technology in embedded spacecraft control systems has been expensive and wrought with many technical challenges. These challenges have centered on overcoming the extreme environmental constraints (protons, neutrons, gamma radiation, cosmic rays, temperature, vibration, etc.) that often preclude direct use of commercial off-the-shelf computer technology. Reliability, fault tolerance and power have also greatly constrained the selection of spacecraft control system computers. More recently, new constraints are being felt, cost and mass in particular, that have again narrowed the degrees of freedom spacecraft designers once enjoyed. This paper discusses these challenges, how they were previously overcome, how future trends in commercial computer technology will simplify (or hinder) selection of computer technology for spacecraft control applications, and what spacecraft electronic system designers can do now to circumvent them.

  17. Historical Mass, Power, Schedule, and Cost Growth for NASA Spacecraft

    Science.gov (United States)

    Hayhurst, Marc R.; Bitten, Robert E.; Shinn, Stephen A.; Judnick, Daniel C.; Hallgrimson, Ingrid E.; Youngs, Megan A.

    2016-01-01

    Although spacecraft developers have been moving towards standardized product lines as the aerospace industry has matured, NASA's continual need to push the cutting edge of science to accomplish unique, challenging missions can still lead to spacecraft resource growth over time. This paper assesses historical mass, power, cost, and schedule growth for multiple NASA spacecraft from the last twenty years and compares to industry reserve guidelines to understand where the guidelines may fall short. Growth is assessed from project start to launch, from the time of the preliminary design review (PDR) to launch and from the time of the critical design review (CDR) to launch. Data is also assessed not just at the spacecraft bus level, but also at the subsystem level wherever possible, to help obtain further insight into possible drivers of growth. Potential recommendations to minimize spacecraft mass, power, cost, and schedule growth for future missions are also discussed.

  18. Iterative Repair Planning for Spacecraft Operations Using the Aspen System

    Science.gov (United States)

    Rabideau, G.; Knight, R.; Chien, S.; Fukunaga, A.; Govindjee, A.

    2000-01-01

    This paper describes the Automated Scheduling and Planning Environment (ASPEN). ASPEN encodes complex spacecraft knowledge of operability constraints, flight rules, spacecraft hardware, science experiments and operations procedures to allow for automated generation of low level spacecraft sequences. Using a technique called iterative repair, ASPEN classifies constraint violations (i.e., conflicts) and attempts to repair each by performing a planning or scheduling operation. It must reason about which conflict to resolve first and what repair method to try for the given conflict. ASPEN is currently being utilized in the development of automated planner/scheduler systems for several spacecraft, including the UFO-1 naval communications satellite and the Citizen Explorer (CX1) satellite, as well as for planetary rover operations and antenna ground systems automation. This paper focuses on the algorithm and search strategies employed by ASPEN to resolve spacecraft operations constraints, as well as the data structures for representing these constraints.

  19. Spacecraft design project: Low Earth orbit communications satellite

    Science.gov (United States)

    Moroney, Dave; Lashbrook, Dave; Mckibben, Barry; Gardener, Nigel; Rivers, Thane; Nottingham, Greg; Golden, Bill; Barfield, Bill; Bruening, Joe; Wood, Dave

    1991-01-01

    This is the final product of the spacecraft design project completed to fulfill the academic requirements of the Spacecraft Design and Integration 2 course (AE-4871) taught at the U.S. Naval Postgraduate School. The Spacecraft Design and Integration 2 course is intended to provide students detailed design experience in selection and design of both satellite system and subsystem components, and their location and integration into a final spacecraft configuration. The design team pursued a design to support a Low Earth Orbiting (LEO) communications system (GLOBALSTAR) currently under development by the Loral Cellular Systems Corporation. Each of the 14 team members was assigned both primary and secondary duties in program management or system design. Hardware selection, spacecraft component design, analysis, and integration were accomplished within the constraints imposed by the 11 week academic schedule and the available design facilities.

  20. Peptides Trapping Dioxins: A Docking-Based Inverse Screening Approach

    Directory of Open Access Journals (Sweden)

    German Perez

    2013-01-01

    Full Text Available A rapid and cost-effective computational methodology for designing and rationalizing the selection of small peptides as receptors for dioxin-like compounds was proposed. The backbone of the dioxin Ah receptor binding site was used to design a series of penta- and hexapeptide libraries, with 1400 elements in total. Peptide flexibility was considered and 10 conformers were found to be a good option to represent peptide conformational space with fair speed-accuracy ratio. Each peptide conformer was treated as a possible receptor, generating a dedicated box and then running a docking process using as ligands a family of 76 dibenzo-p-dioxins and 113 dibenzofurans mono- and polychlorinated. Significant predictions were confirmed by comparing primary structure of top and bottom ranked peptides binding dioxins confirming that scrambled positions of the same amino acids gave completely different predicted binding. The hexapeptide EWFQPW, with the best binding score, was chosen as selective sorbent material in solid-phase extraction. The retention performances were tested using the 2,3,7,8-tetrachlorodibenzo-p-dioxin and two polychlorinated biphenyls in order to verify the hexapeptide specificity. The solid-phase extraction experimental procedure was optimized, and analytical parameters of hexapeptide sorbent material were compared with the resin without hexapeptide and a commercial reversed phase cartridge.

  1. Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

    Directory of Open Access Journals (Sweden)

    Renata De Paris

    2015-01-01

    Full Text Available Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

  2. Molecular docking, spectroscopic studies and quantum calculations on nootropic drug.

    Science.gov (United States)

    Uma Maheswari, J; Muthu, S; Sundius, Tom

    2014-04-05

    A systematic vibrational spectroscopic assignment and analysis of piracetam [(2-oxo-1-pyrrolidineacetamide)] have been carried out using FT-IR and FT-Raman spectral data. The vibrational analysis was aided by an electronic structure calculation based on the hybrid density functional method B3LYP using a 6-311G++(d,p) basis set. Molecular equilibrium geometries, electronic energies, IR and Raman intensities, and harmonic vibrational frequencies have been computed. The assignments are based on the experimental IR and Raman spectra, and a complete assignment of the observed spectra has been proposed. The UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies and the maximum absorption wavelengths λmax were determined by the time-dependent DFT (TD-DFT) method. The geometrical parameters, vibrational frequencies and absorption wavelengths were compared with the experimental data. The complete vibrational assignments are performed on the basis of the potential energy distributions (PED) of the vibrational modes in terms of natural internal coordinates. The simulated FT-IR, FT-Raman, and UV spectra of the title compound have been constructed. Molecular docking studies have been carried out in the active site of piracetam by using Argus Lab. In addition, the potential energy surface, HOMO and LUMO energies, first-order hyperpolarizability and the molecular electrostatic potential have been computed. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Spectroscopic, structural and drug docking studies of carbocysteine

    Science.gov (United States)

    Manivannan, M.; Rajeshwaran, K.; Govindhan, R.; Karthikeyan, B.

    2017-09-01

    Carbocysteine or carbocisteine having the empirical formula C5H9NO4S,is one of the most therapeutically prescribed expectorant, sold under the brand name viz., Mucodyne (UK and India), Rhinathiol and Mucolite. In pediatric respiratory pathology, it can relieve the symptoms of obstructive pulmonary disease (COPD) and bronchiectasis. On the consideration of its extensive pharmaceutical usage and medicinal value, we have investigated its chemical structure and composition by employing various spectral techniques like 1H, 13C NMR, FT-IR,Raman, UV-Visible spectroscopy and powder X-ray diffraction method. Density Functional Theoretical (DFT) studies on its electronic structure is also carried out. Drug docking studies were carried out to ascertain the nature of molecular interaction with the biological protein system. Furthermore theoretical Raman spectrum of this molecule has been computed and compared with the experimental Raman spectrum. The forbidden energy gap between its frontier molecular orbitals, viz., HOMO-LUMO is calculated and correlated with its observed λmax value. Atomic orbitals which are mainly contributes to the frontier molecular orbitals were identified. Molecular electrostatic potential diagram has been mapped to explain its chemical activity. Based on the results, a suitable mechanism of its protein binding mode and drug action has been discussed.

  4. Biological and Docking Studies of Sulfonamide Derivatives of 4-Aminophenazone

    International Nuclear Information System (INIS)

    Akhtar, M.S.; Ismail, A.; Murtaza, S.; Shamim, S.; Tahir, M.N.; Usman Ali Rana, U.A.

    2016-01-01

    Sulfonamide derivatives of 4-aminophenazone (4APZ) were synthesized and accordingly characterized by spectroscopic techniques. These newly synthesized compounds were examined for their biological activities such as enzyme inhibition, analgesic, antibacterial, antioxidant and DNA interaction. A direct correlation between enzyme inhibition activity and concentration of the compounds was observed both by experimental and molecular docking studies. Analgesic activity of the compounds was investigated by formalin-induced paw licking (FIPL), acetic acid-induced writhing (AIW) and heat conduction methods in mice. Membrane stabilization effect was determined by hypotonicity-induced hemolysis. Bacterial strains, S. aureus, S. epidermidis, B. subtilis, E. coli, P. aeruginosa, S. mutans and A. odontolyticus were used for investigating the antibacterial potential of the compounds. Antioxidant potential was investigated by Ferric Reducing Antioxidant Power assay (FRAP) and DPPH free radical scavenging method. DNA interaction studies of the synthesized compounds showed weak interaction. Hyperchromic effect was observed along the series and large positive K values were obtained for most of the compounds. (author)

  5. HERMES docking/berthing system pilot study. Quantitative assessment

    International Nuclear Information System (INIS)

    Munoz Blasco, J.; Goicoechea Sanchez, F.J.

    1993-01-01

    This study falls within the framework of the incorporation of quantitative risk assessment to the activities planned for the ESA-HERMES project (ESA/ CNES). The main objective behind the study was the analysis and evaluation of the potential contribution of so-called probabilistic or quantitative safety analysis to the optimization of the safety development process for the systems carrying out the safety functions required by the new and complex HERMES Space Vehicle. For this purpose, a pilot study was considered a good start in quantitative safety assessments (QSA), as this approach has been frequently used in the past to establish a solid base in large-scale QSA application programs while avoiding considerable economic risks. It was finally decided to select the HERMES docking/berthing system with Man Tender Free Flyer as the case-study. This report describes the different steps followed in the study, along with the main insights obtained and the general conclusions drawn from the study results. (author)

  6. Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives

    Directory of Open Access Journals (Sweden)

    Hatem A. Abuelizz

    2017-06-01

    Full Text Available A new series of quinazoline-4(3H-ones are evaluated for anticonvulsant activity. After intraperitoneal (ip injection to albino mice at a dose of 100 mg/kg body weight, synthesized quinazolin-4(3H-ones (1–24 were examined in the maximal electroshock (MES induced seizures and subcutaneous pentylenetetrazole (scPTZ induced seizure models in mice. The Rotarod method was applied to determine the neurotoxicity. Most of the compounds displayed anticonvulsant activity in the scPTZ screen at a dose range of 0.204–0.376 mmol/mL. Out of twenty-four, compounds 8, 13 and 19 proved to be the most active with a remarkable protection (100% against PTZ induced convulsions and four times more potent activity than ethosuximide. The structure-activity relationship concluded valuable pharmacophoric information, which was confirmed by the molecular docking studies using the target enzyme human carbon anhydrase II (HCA II. The studied quinazoline analogues suggested that the butyl substitution at position 3 has a significant effect on preventing the spread of seizure discharge and on raising the seizure threshold. However, benzyl substitution at position 3 has shown a strong anticonvulsant activity but with less seizure prevention compared to the butyl substitution.

  7. Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls

    Directory of Open Access Journals (Sweden)

    Hezekiel Mathambo Kumalo

    2015-01-01

    Full Text Available he present art of drug discovery and design of new drugs is based on suicidal irreversible inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition. Irreversible inhibitors interact with their targets in a time-dependent fashion, and the reaction proceeds to completion rather than to equilibrium. Covalent inhibitors possessed some significant advantages over non-covalent inhibitors such as covalent warheads can target rare, non-conserved residue of a particular target protein and thus led to development of highly selective inhibitors, covalent inhibitors can be effective in targeting proteins with shallow binding cleavage which will led to development of novel inhibitors with increased potency than non-covalent inhibitors. Several computational approaches have been developed to simulate covalent interactions; however, this is still a challenging area to explore. Covalent molecular docking has been recently implemented in the computer-aided drug design workflows to describe covalent interactions between inhibitors and biological targets. In this review we highlight: (i covalent interactions in biomolecular systems; (ii the mathematical framework of covalent molecular docking; (iii implementation of covalent docking protocol in drug design workflows; (iv applications covalent docking: case studies and (v shortcomings and future perspectives of covalent docking. To the best of our knowledge; this review is the first account that highlights different aspects of covalent docking with its merits and pitfalls. We believe that the method and applications highlighted in this study will help future efforts towards the design of irreversible inhibitors.

  8. Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina.

    Directory of Open Access Journals (Sweden)

    Max W Chang

    Full Text Available BACKGROUND: The AutoDock family of software has been widely used in protein-ligand docking research. This study compares AutoDock 4 and AutoDock Vina in the context of virtual screening by using these programs to select compounds active against HIV protease. METHODOLOGY/PRINCIPAL FINDINGS: Both programs were used to rank the members of two chemical libraries, each containing experimentally verified binders to HIV protease. In the case of the NCI Diversity Set II, both AutoDock 4 and Vina were able to select active compounds significantly better than random (AUC = 0.69 and 0.68, respectively; p<0.001. The binding energy predictions were highly correlated in this case, with r = 0.63 and iota = 0.82. For a set of larger, more flexible compounds from the Directory of Universal Decoys, the binding energy predictions were not correlated, and only Vina was able to rank compounds significantly better than random. CONCLUSIONS/SIGNIFICANCE: In ranking smaller molecules with few rotatable bonds, AutoDock 4 and Vina were equally capable, though both exhibited a size-related bias in scoring. However, as Vina executes more quickly and is able to more accurately rank larger molecules, researchers should look to it first when undertaking a virtual screen.

  9. HPEPDOCK: a web server for blind peptide-protein docking based on a hierarchical algorithm.

    Science.gov (United States)

    Zhou, Pei; Jin, Bowen; Li, Hao; Huang, Sheng-You

    2018-05-09

    Protein-peptide interactions are crucial in many cellular functions. Therefore, determining the structure of protein-peptide complexes is important for understanding the molecular mechanism of related biological processes and developing peptide drugs. HPEPDOCK is a novel web server for blind protein-peptide docking through a hierarchical algorithm. Instead of running lengthy simulations to refine peptide conformations, HPEPDOCK considers the peptide flexibility through an ensemble of peptide conformations generated by our MODPEP program. For blind global peptide docking, HPEPDOCK obtained a success rate of 33.3% in binding mode prediction on a benchmark of 57 unbound cases when the top 10 models were considered, compared to 21.1% for pepATTRACT server. HPEPDOCK also performed well in docking against homology models and obtained a success rate of 29.8% within top 10 predictions. For local peptide docking, HPEPDOCK achieved a high success rate of 72.6% on a benchmark of 62 unbound cases within top 10 predictions, compared to 45.2% for HADDOCK peptide protocol. Our HPEPDOCK server is computationally efficient and consumed an average of 29.8 mins for a global peptide docking job and 14.2 mins for a local peptide docking job. The HPEPDOCK web server is available at http://huanglab.phys.hust.edu.cn/hpepdock/.

  10. Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima.

    Science.gov (United States)

    Oferkin, Igor V; Katkova, Ekaterina V; Sulimov, Alexey V; Kutov, Danil C; Sobolev, Sergey I; Voevodin, Vladimir V; Sulimov, Vladimir B

    2015-01-01

    The adequate choice of the docking target function impacts the accuracy of the ligand positioning as well as the accuracy of the protein-ligand binding energy calculation. To evaluate a docking target function we compared positions of its minima with the experimentally known pose of the ligand in the protein active site. We evaluated five docking target functions based on either the MMFF94 force field or the PM7 quantum-chemical method with or without implicit solvent models: PCM, COSMO, and SGB. Each function was tested on the same set of 16 protein-ligand complexes. For exhaustive low-energy minima search the novel MPI parallelized docking program FLM and large supercomputer resources were used. Protein-ligand binding energies calculated using low-energy minima were compared with experimental values. It was demonstrated that the docking target function on the base of the MMFF94 force field in vacuo can be used for discovery of native or near native ligand positions by finding the low-energy local minima spectrum of the target function. The importance of solute-solvent interaction for the correct ligand positioning is demonstrated. It is shown that docking accuracy can be improved by replacement of the MMFF94 force field by the new semiempirical quantum-chemical PM7 method.

  11. Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima

    Directory of Open Access Journals (Sweden)

    Igor V. Oferkin

    2015-01-01

    Full Text Available The adequate choice of the docking target function impacts the accuracy of the ligand positioning as well as the accuracy of the protein-ligand binding energy calculation. To evaluate a docking target function we compared positions of its minima with the experimentally known pose of the ligand in the protein active site. We evaluated five docking target functions based on either the MMFF94 force field or the PM7 quantum-chemical method with or without implicit solvent models: PCM, COSMO, and SGB. Each function was tested on the same set of 16 protein-ligand complexes. For exhaustive low-energy minima search the novel MPI parallelized docking program FLM and large supercomputer resources were used. Protein-ligand binding energies calculated using low-energy minima were compared with experimental values. It was demonstrated that the docking target function on the base of the MMFF94 force field in vacuo can be used for discovery of native or near native ligand positions by finding the low-energy local minima spectrum of the target function. The importance of solute-solvent interaction for the correct ligand positioning is demonstrated. It is shown that docking accuracy can be improved by replacement of the MMFF94 force field by the new semiempirical quantum-chemical PM7 method.

  12. Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking

    Directory of Open Access Journals (Sweden)

    Tyagi Sadhna

    2009-06-01

    Full Text Available Abstract Background Previously, ways to adapt docking programs that were developed for modelling inhibitor-receptor interaction have been explored. Two main issues were discussed. First, when trying to model catalysis a reaction intermediate of the substrate is expected to provide more valid information than the ground state of the substrate. Second, the incorporation of protein flexibility is essential for reliable predictions. Results Here we present a predictive and robust method to model substrate specificity and enantioselectivity of lipases and esterases that uses reaction intermediates and incorporates protein flexibility. Substrate-imprinted docking starts with covalent docking of reaction intermediates, followed by geometry optimisation of the resulting enzyme-substrate complex. After a second round of docking the same substrate into the geometry-optimised structures, productive poses are identified by geometric filter criteria and ranked by their docking scores. Substrate-imprinted docking was applied in order to model (i enantioselectivity of Candida antarctica lipase B and a W104A mutant, (ii enantioselectivity and substrate specificity of Candida rugosa lipase and Burkholderia cepacia lipase, and (iii substrate specificity of an acetyl- and a butyrylcholine esterase toward the substrates acetyl- and butyrylcholine. Conclusion The experimentally observed differences in selectivity and specificity of the enzymes were reproduced with an accuracy of 81%. The method was robust toward small differences in initial structures (different crystallisation conditions or a co-crystallised ligand, although large displacements of catalytic residues often resulted in substrate poses that did not pass the geometric filter criteria.

  13. A cross docking pipeline for improving pose prediction and virtual screening performance

    Science.gov (United States)

    Kumar, Ashutosh; Zhang, Kam Y. J.

    2018-01-01

    Pose prediction and virtual screening performance of a molecular docking method depend on the choice of protein structures used for docking. Multiple structures for a target protein are often used to take into account the receptor flexibility and problems associated with a single receptor structure. However, the use of multiple receptor structures is computationally expensive when docking a large library of small molecules. Here, we propose a new cross-docking pipeline suitable to dock a large library of molecules while taking advantage of multiple target protein structures. Our method involves the selection of a suitable receptor for each ligand in a screening library utilizing ligand 3D shape similarity with crystallographic ligands. We have prospectively evaluated our method in D3R Grand Challenge 2 and demonstrated that our cross-docking pipeline can achieve similar or better performance than using either single or multiple-receptor structures. Moreover, our method displayed not only decent pose prediction performance but also better virtual screening performance over several other methods.

  14. Vehicle Routing Problem for Fashion Supply Chains with Cross-Docking

    Directory of Open Access Journals (Sweden)

    Zhi-Hua Hu

    2013-01-01

    Full Text Available Cross-docking, as a strategy to reduce lead time and enhance the efficiency of the fashion supply chain, has attracted substantial attention from both the academy and the industry. Cross-docking is a critical part of many fashion and textiles supply chains in practice because it can help to achieve many supply chain strategies such as postponement. We consider a model where there are multiple suppliers and customers in a single cross-docking center. With such a model setting, the issue concerning the coordinated routing between the inbound and outbound routes is much more complex than many traditional vehicle routing problems (VRPs. We formulate the optimal route selection problems from the suppliers to the cross-docking center and from the cross-docking center to the customers as the respective VRPs. Based on the relationships between the suppliers and the customers, we integrate the two VRP models to optimize the overall traveling time, distance, and waiting time at the cross-docking center. In addition, we propose a novel mixed 0/1 integer linear programming model by which the complexity of the problem can be reduced significantly. As demonstrated by the simulation analysis, our proposed model can be solved very efficiently by a commonly used optimization software package.

  15. A Technology Program that Rescues Spacecraft

    Science.gov (United States)

    Deutsch, Leslie J.; Lesh, J. R.

    2004-03-01

    There has never been a long-duration deep space mission that did not have unexpected problems during operations. JPL's Interplanetary Network Directorate (IND) Technology Program was created to develop new and improved methods of communication, navigation, and operations. A side benefit of the program is that it maintains a cadre of human talent and experimental systems that can be brought to bear on unexpected problems that may occur during mission operations. Solutions fall into four categories: applying new technology during operations to enhance science performance, developing new operational strategies, providing domain experts to help find solutions, and providing special facilities to trouble-shoot problems. These are illustrated here using five specific examples of spacecraft anomalies that have been solved using, at least in part, expertise or facilities from the IND Technology Program: Mariner 10, Voyager, Galileo, SOHO, and Cassini/Huygens. In this era of careful cost management, and emphasis on returns-on-investment, it is important to recognize this crucial additional benefit from such technology program investments.

  16. Radioisotopic heater units warm an interplanetary spacecraft

    International Nuclear Information System (INIS)

    Franco-Ferreira, E.A.

    1998-01-01

    The Cassini orbiter and Huygens probe, which were successfully launched on October 15, 1997, constitute NASA's last grand-scale interplanetary mission of this century. The mission, which consists of a four-year, close-up study of Saturn and its moons, begins in July 2004 with Cassini's 60 orbits of Saturn and about 33 fly-bys of the large moon Titan. The Huygens probe will descend and land on Titan. Investigations will include Saturn's atmosphere, its rings and its magnetosphere. The atmosphere and surface of Titan and other icy moons also will be characterized. Because of the great distance of Saturn from the sun, some of the instruments and equipment on both the orbiter and the probe require external heaters to maintain their temperature within normal operating ranges. These requirements are met by Light Weight Radioisotope Heater Units (LWRHUs) designed, fabricated and safety tested at Los Alamos National Laboratory, New Mexico. An improved gas tungsten arc welding procedure lowered costs and decreased processing time for heat units for the Cassini spacecraft

  17. An AFDX Network for Spacecraft Data Handling

    Science.gov (United States)

    Deredempt, Marie-Helene; Kollias, Vangelis; Sun, Zhili; Canamares, Ernest; Ricco, Philippe

    2014-08-01

    In aeronautical domain, ARINC-664 Part 7 specification (AFDX) [4] provides the enabling technology for interfacing equipment in Integrated Modular Avionics (IMA) architectures. The complementary part of AFDX for a complete interoperability - Time and Space Partitioning (ARINC 653) concepts [1]- was already studied as part of space domain ESA roadmap (i.e. IMA4Space project)Standardized IMA based architecture is already considered in aeronautical domain as more flexible, reliable and secure. Integration and validation become simple, using a common set of tools and data base and could be done by part on different means with the same definition (hardware and software test benches, flight control or alarm test benches, simulator and flight test installation).In some area, requirements in terms of data processing are quite similar in space domain and the concept could be applicable to take benefit of the technology itself and of the panel of hardware and software solutions and tools available on the market. The Mission project (Methodology and assessment for the applicability of ARINC-664 (AFDX) in Satellite/Spacecraft on-board communicatION networks), as an FP7 initiative for bringing terrestrial SME research into the space domain started to evaluate the applicability of the standard in space domain.

  18. Spacecraft attitude and velocity control system

    Science.gov (United States)

    Paluszek, Michael A. (Inventor); Piper, Jr., George E. (Inventor)

    1992-01-01

    A spacecraft attitude and/or velocity control system includes a controller which responds to at least attitude errors to produce command signals representing a force vector F and a torque vector T, each having three orthogonal components, which represent the forces and torques which are to be generated by the thrusters. The thrusters may include magnetic torquer or reaction wheels. Six difference equations are generated, three having the form ##EQU1## where a.sub.j is the maximum torque which the j.sup.th thruster can produce, b.sub.j is the maximum force which the j.sup.th thruster can produce, and .alpha..sub.j is a variable representing the throttling factor of the j.sup.th thruster, which may range from zero to unity. The six equations are summed to produce a single scalar equation relating variables .alpha..sub.j to a performance index Z: ##EQU2## Those values of .alpha. which maximize the value of Z are determined by a method for solving linear equations, such as a linear programming method. The Simplex method may be used. The values of .alpha..sub.j are applied to control the corresponding thrusters.

  19. Humidity Testing for Human Rated Spacecraft

    Science.gov (United States)

    Johnson, Gary B.

    2009-01-01

    Determination that equipment can operate in and survive exposure to the humidity environments unique to human rated spacecraft presents widely varying challenges. Equipment may need to operate in habitable volumes where the atmosphere contains perspiration, exhalation, and residual moisture. Equipment located outside the pressurized volumes may be exposed to repetitive diurnal cycles that may result in moisture absorption and/or condensation. Equipment may be thermally affected by conduction to coldplate or structure, by forced or ambient air convection (hot/cold or wet/dry), or by radiation to space through windows or hatches. The equipment s on/off state also contributes to the equipment s susceptibility to humidity. Like-equipment is sometimes used in more than one location and under varying operational modes. Due to these challenges, developing a test scenario that bounds all physical, environmental and operational modes for both pressurized and unpressurized volumes requires an integrated assessment to determine the "worst-case combined conditions." Such an assessment was performed for the Constellation program, considering all of the aforementioned variables; and a test profile was developed based on approximately 300 variable combinations. The test profile has been vetted by several subject matter experts and partially validated by testing. Final testing to determine the efficacy of the test profile on actual space hardware is in the planning stages. When validation is completed, the test profile will be formally incorporated into NASA document CxP 30036, "Constellation Environmental Qualification and Acceptance Testing Requirements (CEQATR)."

  20. Kalman Filter for Spinning Spacecraft Attitude Estimation

    Science.gov (United States)

    Markley, F. Landis; Sedlak, Joseph E.

    2008-01-01

    This paper presents a Kalman filter using a seven-component attitude state vector comprising the angular momentum components in an inertial reference frame, the angular momentum components in the body frame, and a rotation angle. The relatively slow variation of these parameters makes this parameterization advantageous for spinning spacecraft attitude estimation. The filter accounts for the constraint that the magnitude of the angular momentum vector is the same in the inertial and body frames by employing a reduced six-component error state. Four variants of the filter, defined by different choices for the reduced error state, are tested against a quaternion-based filter using simulated data for the THEMIS mission. Three of these variants choose three of the components of the error state to be the infinitesimal attitude error angles, facilitating the computation of measurement sensitivity matrices and causing the usual 3x3 attitude covariance matrix to be a submatrix of the 6x6 covariance of the error state. These variants differ in their choice for the other three components of the error state. The variant employing the infinitesimal attitude error angles and the angular momentum components in an inertial reference frame as the error state shows the best combination of robustness and efficiency in the simulations. Attitude estimation results using THEMIS flight data are also presented.

  1. NASA Medical Response to Human Spacecraft Accidents

    Science.gov (United States)

    Patlach, Robert

    2011-01-01

    This slide presentation reviews NASA's role in the response to spacecraft accidents that involve human fatalities or injuries. Particular attention is given to the work of the Mishap Investigation Team (MIT), the first response to the accidents and the interface to the accident investigation board. The MIT does not investigate the accident, but the objective of the MIT is to gather, guard, preserve and document the evidence. The primary medical objectives of the MIT is to receive, analyze, identify, and transport human remains, provide assistance in the recovery effort, and to provide family Casualty Coordinators with latest recovery information. The MIT while it does not determine the cause of the accident, it acts as the fact gathering arm of the Mishap Investigation Board (MIB), which when it is activated may chose to continue to use the MIT as its field investigation resource. The MIT membership and the specific responsibilities and tasks of the flight surgeon is reviewed. The current law establishing the process is also reviewed.

  2. Medical Significance of Microorganisms in Spacecraft Environment

    Science.gov (United States)

    Pierson, Duane L.; Ott, C. Mark

    2007-01-01

    Microorganisms can spoil food supplies, contaminate drinking water, release noxious volatile compounds, initiate allergic responses, contaminate the environment, and cause infectious diseases. International acceptability limits have been established for bacterial and fungal contaminants in air and on surfaces, and environmental monitoring is conducted to ensure compliance. Allowable levels of microorganism in water and food have also been established. Environmental monitoring of the space shuttle, the Mir, and the ISS have allowed for some general conclusions. Generally, the bacteria found in air and on interior surfaces are largely of human origin such as Staphylococcus spp., Micrococcus spp. Common environmental genera such as Bacillus spp. are the most commonly isolated bacteria from all spacecraft. Yeast species associated with humans such as Candida spp. are commonly found. Aspergillus spp., Penicillium spp., and Cladosporium spp. are the most commonly isolated filamentous fungi. Microbial levels in the environment differ significantly depending upon humidity levels, condensate accumulation, and availability of carbon sources. However, human "normal flora" of bacteria and fungi can result in serious, life-threatening diseases if human immunity is compromised. Disease incidence is expected to increase as mission duration increases.

  3. Programs To Optimize Spacecraft And Aircraft Trajectories

    Science.gov (United States)

    Brauer, G. L.; Petersen, F. M.; Cornick, D.E.; Stevenson, R.; Olson, D. W.

    1994-01-01

    POST/6D POST is set of two computer programs providing ability to target and optimize trajectories of powered or unpowered spacecraft or aircraft operating at or near rotating planet. POST treats point-mass, three-degree-of-freedom case. 6D POST treats more-general rigid-body, six-degree-of-freedom (with point masses) case. Used to solve variety of performance, guidance, and flight-control problems for atmospheric and orbital vehicles. Applications include computation of performance or capability of vehicle in ascent, or orbit, and during entry into atmosphere, simulation and analysis of guidance and flight-control systems, dispersion-type analyses and analyses of loads, general-purpose six-degree-of-freedom simulation of controlled and uncontrolled vehicles, and validation of performance in six degrees of freedom. Written in FORTRAN 77 and C language. Two machine versions available: one for SUN-series computers running SunOS(TM) (LAR-14871) and one for Silicon Graphics IRIS computers running IRIX(TM) operating system (LAR-14869).

  4. Spaceborne intensity interferometry via spacecraft formation flight

    Science.gov (United States)

    Ribak, Erez N.; Gurfil, Pini; Moreno, Coral

    2012-07-01

    Interferometry in space has marked advantages: long integration times and observation in spectral bands where the atmosphere is opaque. When installed on separate spacecraft, it also has extended and flexible baselines for better filling of the uv plane. Intensity interferometry has an additional advantage, being insensitive to telescope and path errors, but is unfortunately much less light-sensitive. In planning towards such a mission, we are experimenting with some fundamental research issues. Towards this end, we constructed a system of three vehicles floating on an air table in formation flight, with an autonomous orbit control. Each such device holds its own light collector, detector, and transmitter, to broadcast its intensity signal towards a central receiving station. At this station we implement parallel radio receivers, analogue to digital converters, and a digital three-way correlator. Current technology limits us to ~1GHz transmission frequency, which corresponds to a comfortable 0.3m accuracy in light-bucket shape and in its relative position. Naïve calculations place our limiting magnitude at ~7 in the blue and ultraviolet, where amplitude interferometers are limited. The correlation signal rides on top of this huge signal with its own Poisson noise, requiring a very large dynamic range, which needs to be transmitted in full. We are looking at open questions such as deployable optical collectors and radio antennae of similar size of a few meters, and how they might influence our data transmission and thus set our flux limit.

  5. Spacecraft with gradual acceleration of solar panels

    Science.gov (United States)

    Merhav, Tamir R. (Inventor); Festa, Michael T. (Inventor); Stetson, Jr., John B. (Inventor)

    1996-01-01

    A spacecraft (8) includes a movable appendage such as solar panels (12) operated by a stepping motor (28) driven by pulses (311). In order to reduce vibration andor attitude error, the drive pulses are generated by a clock down-counter (312) with variable count ratio. Predetermined desired clock ratios are stored in selectable memories (314a-d), and the selected ratio (R) is coupled to a comparator (330) together with the current ratio (C). An up-down counter (340) establishes the current count-down ratio by counting toward the desired ratio under the control of the comparator; thus, a step change of solar panel speed never occurs. When a direction change is commanded, a flag signal generator (350) disables the selectable memories, and enables a further store (360), which generates a count ratio representing a very slow solar panel rotational rate, so that the rotational rate always slows to a low value before direction is changed. The principles of the invention are applicable to any movable appendage.

  6. Vibration and Acoustic Testing for Mars Micromission Spacecraft

    Science.gov (United States)

    Kern, Dennis L.; Scharton, Terry D.

    1999-01-01

    The objective of the Mars Micromission program being managed by the Jet Propulsion Laboratory (JPL) for NASA is to develop a common spacecraft that can carry telecommunications equipment and a variety of science payloads for exploration of Mars. The spacecraft will be capable of carrying robot landers and rovers, cameras, probes, balloons, gliders or aircraft, and telecommunications equipment to Mars at much lower cost than recent NASA Mars missions. The lightweight spacecraft (about 220 Kg mass) will be launched in a cooperative venture with CNES as a TWIN auxiliary payload on the Ariane 5 launch vehicle. Two or more Mars Micromission launches are planned for each Mars launch opportunity, which occur every 26 months. The Mars launch window for the first mission is November 1, 2002 through April 2003, which is planned to be a Mars airplane technology demonstration mission to coincide with the 100 year anniversary of the Kittyhawk flight. Several subsequent launches will create a telecommunications network orbiting Mars, which will provide for continuous communication with lenders and rovers on the Martian surface. Dedicated science payload flights to Mars are slated to start in 2005. This new cheaper and faster approach to Mars exploration calls for innovative approaches to the qualification of the Mars Micromission spacecraft for the Ariane 5 launch vibration and acoustic environments. JPL has in recent years implemented new approaches to spacecraft testing that may be effectively applied to the Mars Micromission. These include 1) force limited vibration testing, 2) combined loads, vibration and modal testing, and 3) direct acoustic testing. JPL has performed nearly 200 force limited vibration tests in the past 9 years; several of the tests were on spacecraft and large instruments, including the Cassini and Deep Space One spacecraft. Force limiting, which measures and limits the spacecraft base reaction force using triaxial force gages sandwiched between the

  7. Four-spacecraft determination of magnetopause orientation, motion and thickness: comparison with results from single-spacecraft methods

    Directory of Open Access Journals (Sweden)

    S. E. Haaland

    2004-04-01

    Full Text Available In this paper, we use Cluster data from one magnetopause event on 5 July 2001 to compare predictions from various methods for determination of the velocity, orientation, and thickness of the magnetopause current layer. We employ established as well as new multi-spacecraft techniques, in which time differences between the crossings by the four spacecraft, along with the duration of each crossing, are used to calculate magnetopause speed, normal vector, and width. The timing is based on data from either the Cluster Magnetic Field Experiment (FGM or the Electric Field Experiment (EFW instruments. The multi-spacecraft results are compared with those derived from various single-spacecraft techniques, including minimum-variance analysis of the magnetic field and deHoffmann-Teller, as well as Minimum-Faraday-Residue analysis of plasma velocities and magnetic fields measured during the crossings. In order to improve the overall consistency between multi- and single-spacecraft results, we have also explored the use of hybrid techniques, in which timing information from the four spacecraft is combined with certain limited results from single-spacecraft methods, the remaining results being left for consistency checks. The results show good agreement between magnetopause orientations derived from appropriately chosen single-spacecraft techniques and those obtained from multi-spacecraft timing. The agreement between magnetopause speeds derived from single- and multi-spacecraft methods is quantitatively somewhat less good but it is evident that the speed can change substantially from one crossing to the next within an event. The magnetopause thickness varied substantially from one crossing to the next, within an event. It ranged from 5 to 10 ion gyroradii. The density profile was sharper than the magnetic profile: most of the density change occured in the earthward half of the magnetopause.

    Key words. Magnetospheric physics (magnetopause, cusp and

  8. Advanced Solar-propelled Cargo Spacecraft for Mars Missions

    Science.gov (United States)

    Auziasdeturenne, Jacqueline; Beall, Mark; Burianek, Joseph; Cinniger, Anna; Dunmire, Barbrina; Haberman, Eric; Iwamoto, James; Johnson, Stephen; Mccracken, Shawn; Miller, Melanie

    1989-01-01

    Three concepts for an unmanned, solar powered, cargo spacecraft for Mars support missions were investigated. These spacecraft are designed to carry a 50,000 kg payload from a low Earth orbit to a low Mars orbit. Each design uses a distinctly different propulsion system: A Solar Radiation Absorption (SRA) system, a Solar-Pumped Laser (SPL) system and a solar powered magnetoplasmadynamic (MPD) arc system. The SRA directly converts solar energy to thermal energy in the propellant through a novel process. In the SPL system, a pair of solar-pumped, multi-megawatt, CO2 lasers in sunsynchronous Earth orbit converts solar energy to laser energy. The MPD system used indium phosphide solar cells to convert sunlight to electricity, which powers the propulsion system. Various orbital transfer options are examined for these concepts. In the SRA system, the mother ship transfers the payload into a very high Earth orbit and a small auxiliary propulsion system boosts the payload into a Hohmann transfer to Mars. The SPL spacecraft and the SPL powered spacecraft return to Earth for subsequent missions. The MPD propelled spacecraft, however, remains at Mars as an orbiting space station. A patched conic approximation was used to determine a heliocentric interplanetary transfer orbit for the MPD propelled spacecraft. All three solar-powered spacecraft use an aerobrake procedure to place the payload into a low Mars parking orbit. The payload delivery times range from 160 days to 873 days (2.39 years).

  9. Time Frequency Analysis of Spacecraft Propellant Tank Spinning Slosh

    Science.gov (United States)

    Green, Steven T.; Burkey, Russell C.; Sudermann, James

    2010-01-01

    Many spacecraft are designed to spin about an axis along the flight path as a means of stabilizing the attitude of the spacecraft via gyroscopic stiffness. Because of the assembly requirements of the spacecraft and the launch vehicle, these spacecraft often spin about an axis corresponding to a minor moment of inertia. In such a case, any perturbation of the spin axis will cause sloshing motions in the liquid propellant tanks that will eventually dissipate enough kinetic energy to cause the spin axis nutation (wobble) to grow further. This spinning slosh and resultant nutation growth is a primary design problem of spinning spacecraft and one that is not easily solved by analysis or simulation only. Testing remains the surest way to address spacecraft nutation growth. This paper describes a test method and data analysis technique that reveal the resonant frequency and damping behavior of liquid motions in a spinning tank. Slosh resonant frequency and damping characteristics are necessary inputs to any accurate numerical dynamic simulation of the spacecraft.

  10. Experiments study on attitude coupling control method for flexible spacecraft

    Science.gov (United States)

    Wang, Jie; Li, Dongxu

    2018-06-01

    High pointing accuracy and stabilization are significant for spacecrafts to carry out Earth observing, laser communication and space exploration missions. However, when a spacecraft undergoes large angle maneuver, the excited elastic oscillation of flexible appendages, for instance, solar wing and onboard antenna, would downgrade the performance of the spacecraft platform. This paper proposes a coupling control method, which synthesizes the adaptive sliding mode controller and the positive position feedback (PPF) controller, to control the attitude and suppress the elastic vibration simultaneously. Because of its prominent performance for attitude tracking and stabilization, the proposed method is capable of slewing the flexible spacecraft with a large angle. Also, the method is robust to parametric uncertainties of the spacecraft model. Numerical simulations are carried out with a hub-plate system which undergoes a single-axis attitude maneuver. An attitude control testbed for the flexible spacecraft is established and experiments are conducted to validate the coupling control method. Both numerical and experimental results demonstrate that the method discussed above can effectively decrease the stabilization time and improve the attitude accuracy of the flexible spacecraft.

  11. Research on intelligent power distribution system for spacecraft

    Science.gov (United States)

    Xia, Xiaodong; Wu, Jianju

    2017-10-01

    The power distribution system (PDS) mainly realizes the power distribution and management of the electrical load of the whole spacecraft, which is directly related to the success or failure of the mission, and hence is an important part of the spacecraft. In order to improve the reliability and intelligent degree of the PDS, and considering the function and composition of spacecraft power distribution system, this paper systematically expounds the design principle and method of the intelligent power distribution system based on SSPC, and provides the analysis and verification of the test data additionally.

  12. Preliminary thermal design of the COLD-SAT spacecraft

    Science.gov (United States)

    Arif, Hugh

    1991-01-01

    The COLD-SAT free-flying spacecraft was to perform experiments with LH2 in the cryogenic fluid management technologies of storage, supply and transfer in reduced gravity. The Phase A preliminary design of the Thermal Control Subsystem (TCS) for the spacecraft exterior and interior surfaces and components of the bus subsystems is described. The TCS was composed of passive elements which were augmented with heaters. Trade studies to minimize the parasitic heat leakage into the cryogen storage tanks are described. Selection procedure for the thermally optimum on-orbit spacecraft attitude was defined. TRASYS-2 and SINDA'85 verification analysis was performed on the design and the results are presented.

  13. Ad hoc laser networks component technology for modular spacecraft

    Science.gov (United States)

    Huang, Xiujun; Shi, Dele; Shen, Jingshi

    2017-10-01

    Distributed reconfigurable satellite is a new kind of spacecraft system, which is based on a flexible platform of modularization and standardization. Based on the module data flow analysis of the spacecraft, this paper proposes a network component of ad hoc Laser networks architecture. Low speed control network with high speed load network of Microwave-Laser communication mode, no mesh network mode, to improve the flexibility of the network. Ad hoc Laser networks component technology was developed, and carried out the related performance testing and experiment. The results showed that ad hoc Laser networks components can meet the demand of future networking between the module of spacecraft.

  14. Fifty-one years of Los Alamos Spacecraft

    Energy Technology Data Exchange (ETDEWEB)

    Fenimore, Edward E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-09-04

    From 1963 to 2014, the Los Alamos National Laboratory was involved in at least 233 spacecraft. There are probably only one or two institutions in the world that have been involved in so many spacecraft. Los Alamos space exploration started with the Vela satellites for nuclear test detection, but soon expanded to ionospheric research (mostly barium releases), radioisotope thermoelectric generators, solar physics, solar wind, magnetospheres, astrophysics, national security, planetary physics, earth resources, radio propagation in the ionosphere, and cubesats. Here, we present a list of the spacecraft, their purpose, and their launch dates for use during RocketFest

  15. Iodine Plasma (Electric Propulsion) Interaction with Spacecraft Materials

    Science.gov (United States)

    2016-12-28

    Teflon (AGT5, Ag-FEP) Thermal control surface (radiator) Spacecraft Exposure Soda-lime glass (74% SiO2 , 13% Na2O, 8% CaO, 4% MgO, 1% other oxide... Glass Solar panel cover Spacecraft Exposure Buna-N (acrylonitrile butadiene rubber) Seals Iodine Feed System Carbon fiber composite (epoxy resin...Fe Propellant isolator Spacecraft Exposure Lanthanum Hexaboride, LaB6 Cathode emitter Inside Cathode Yes MACOR (46% SiO2 , 17% MgO, 16% Al2O3, 10

  16. Cooper-Harper Experience Report for Spacecraft Handling Qualities Applications

    Science.gov (United States)

    Bailey, Randall E.; Jackson, E. Bruce; Bilimoria, Karl D.; Mueller, Eric R.; Frost, Chad R.; Alderete, Thomas S.

    2009-01-01

    A synopsis of experience from the fixed-wing and rotary-wing aircraft communities in handling qualities development and the use of the Cooper-Harper pilot rating scale is presented as background for spacecraft handling qualities research, development, test, and evaluation (RDT&E). In addition, handling qualities experiences and lessons-learned from previous United States (US) spacecraft developments are reviewed. This report is intended to provide a central location for references, best practices, and lessons-learned to guide current and future spacecraft handling qualities RDT&E.

  17. Spacecraft charging and related effects during Halley encounter

    International Nuclear Information System (INIS)

    Young, D.T.

    1983-01-01

    Hypervelocity (69 km/s) impact of cometary material with surfaces of the GIOTTO spacecraft will induce a number of spurious and possibly harmful phenomena. The most serious of these is likely to be spacecraft charging that results from impact-produced plasma distributions surrounding GIOTTO. The ESA Plasma Environment Working Group, whose studies are the basis for this report, finds that charging may become significant within approx. 10 5 km of the nucleus where potentials of approx. = +20 V are to be expected. In addition to spacecraft charging, impact produced plasma may interfere with in situ plasma measurements, particularly those of ion plasma analyzers and mass spectrometers

  18. Overview of SDCM - The Spacecraft Design and Cost Model

    Science.gov (United States)

    Ferebee, Melvin J.; Farmer, Jeffery T.; Andersen, Gregory C.; Flamm, Jeffery D.; Badi, Deborah M.

    1988-01-01

    The Spacecraft Design and Cost Model (SDCM) is a computer-aided design and analysis tool for synthesizing spacecraft configurations, integrating their subsystems, and generating information concerning on-orbit servicing and costs. SDCM uses a bottom-up method in which the cost and performance parameters for subsystem components are first calculated; the model then sums the contributions from individual components in order to obtain an estimate of sizes and costs for each candidate configuration within a selected spacecraft system. An optimum spacraft configuration can then be selected.

  19. Crusader Automated Docking System: Technology support for the Crusader Resupply Team. Interim report, Ammunition Logistics Program

    Energy Technology Data Exchange (ETDEWEB)

    Kring, C.T.; Varma, V.K.; Jatko, W.B.

    1995-11-01

    The US Army and Team Crusader (United Defense, Lockheed Martin Armament Systems, etc.) are developing the next generation howitzer, the Crusader. The development program includes an advanced, self-propelled liquid propellant howitzer and a companion resupply vehicle. The resupply vehicle is intended to rendezvous with the howitzer near the battlefront and replenish ammunition, fuel, and other material. The Army has recommended that Crusader incorporate new and innovative technologies to improve performance and safety. One conceptual design proposes a robotic resupply boom on the resupply vehicle to upload supplies to the howitzer. The resupply boom would normally be retracted inside the resupply vehicle during transit. When the two vehicles are within range of the resupply boom, the boom would be extended to a receiving port on the howitzer. In order to reduce exposure to small arms fire or nuclear, biological, and chemical hazards, the crew would remain inside the resupply vehicle during the resupply operation. The process of extending the boom and linking with the receiving port is called docking. A boom operator would be designated to maneuver the boom into contact with the receiving port using a mechanical joystick. The docking operation depends greatly upon the skill of the boom operator to manipulate the boom into docking position. Computer simulations at the National Aeronautics and Space Administration have shown that computer-assisted or autonomous docking can improve the ability of the operator to dock safely and quickly. This document describes the present status of the Crusader Autonomous Docking System (CADS) implemented at Oak Ridge National laboratory (ORNL). The purpose of the CADS project is to determine the feasibility and performance limitations of vision systems to satisfy the autonomous docking requirements for Crusader and conduct a demonstration under controlled conditions.

  20. Plasticity of the Binding Site of Renin: Optimized Selection of Protein Structures for Ensemble Docking.

    Science.gov (United States)

    Strecker, Claas; Meyer, Bernd

    2018-05-02

    Protein flexibility poses a major challenge to docking of potential ligands in that the binding site can adopt different shapes. Docking algorithms usually keep the protein rigid and only allow the ligand to be treated as flexible. However, a wrong assessment of the shape of the binding pocket can prevent a ligand from adapting a correct pose. Ensemble docking is a simple yet promising method to solve this problem: Ligands are docked into multiple structures, and the results are subsequently merged. Selection of protein structures is a significant factor for this approach. In this work we perform a comprehensive and comparative study evaluating the impact of structure selection on ensemble docking. We perform ensemble docking with several crystal structures and with structures derived from molecular dynamics simulations of renin, an attractive target for antihypertensive drugs. Here, 500 ns of MD simulations revealed binding site shapes not found in any available crystal structure. We evaluate the importance of structure selection for ensemble docking by comparing binding pose prediction, ability to rank actives above nonactives (screening utility), and scoring accuracy. As a result, for ensemble definition k-means clustering appears to be better suited than hierarchical clustering with average linkage. The best performing ensemble consists of four crystal structures and is able to reproduce the native ligand poses better than any individual crystal structure. Moreover this ensemble outperforms 88% of all individual crystal structures in terms of screening utility as well as scoring accuracy. Similarly, ensembles of MD-derived structures perform on average better than 75% of any individual crystal structure in terms of scoring accuracy at all inspected ensembles sizes.

  1. A unified conformational selection and induced fit approach to protein-peptide docking.

    Directory of Open Access Journals (Sweden)

    Mikael Trellet

    Full Text Available Protein-peptide interactions are vital for the cell. They mediate, inhibit or serve as structural components in nearly 40% of all macromolecular interactions, and are often associated with diseases, making them interesting leads for protein drug design. In recent years, large-scale technologies have enabled exhaustive studies on the peptide recognition preferences for a number of peptide-binding domain families. Yet, the paucity of data regarding their molecular binding mechanisms together with their inherent flexibility makes the structural prediction of protein-peptide interactions very challenging. This leaves flexible docking as one of the few amenable computational techniques to model these complexes. We present here an ensemble, flexible protein-peptide docking protocol that combines conformational selection and induced fit mechanisms. Starting from an ensemble of three peptide conformations (extended, a-helix, polyproline-II, flexible docking with HADDOCK generates 79.4% of high quality models for bound/unbound and 69.4% for unbound/unbound docking when tested against the largest protein-peptide complexes benchmark dataset available to date. Conformational selection at the rigid-body docking stage successfully recovers the most relevant conformation for a given protein-peptide complex and the subsequent flexible refinement further improves the interface by up to 4.5 Å interface RMSD. Cluster-based scoring of the models results in a selection of near-native solutions in the top three for ∼75% of the successfully predicted cases. This unified conformational selection and induced fit approach to protein-peptide docking should open the route to the modeling of challenging systems such as disorder-order transitions taking place upon binding, significantly expanding the applicability limit of biomolecular interaction modeling by docking.

  2. Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase

    Science.gov (United States)

    Birch, Louise; Murray, Christopher W.; Hartshorn, Michael J.; Tickle, Ian J.; Verdonk, Marcel L.

    2002-12-01

    Many proteins undergo small side chain or even backbone movements on binding of different ligands into the same protein structure. This is known as induced fit and is potentially problematic for virtual screening of databases against protein targets. In this report we investigate the limits of the rigid protein approximation used by the docking program, GOLD, through cross-docking using protein structures of influenza neuraminidase. Neuraminidase is known to exhibit small but significant induced fit effects on ligand binding. Some neuraminidase crystal structures caused concern due to the bound ligand conformation and GOLD performed poorly on these complexes. A `clean' set, which contained unique, unambiguous complexes, was defined. For this set, the lowest energy structure was correctly docked (i.e. RMSD < 1.5 Å away from the crystal reference structure) in 84% of proteins, and the most promiscuous protein (1mwe) was able to dock all 15 ligands accurately including those that normally required an induced fit movement. This is considerably better than the 70% success rate seen with GOLD against general validation sets. Inclusion of specific water molecules involved in water-mediated hydrogen bonds did not significantly improve the docking performance for ligands that formed water-mediated contacts but it did prevent docking of ligands that displaced these waters. Our data supports the use of a single protein structure for virtual screening with GOLD in some applications involving induced fit effects, although care must be taken to identify the protein structure that performs best against a wide variety of ligands. The performance of GOLD was significantly better than the GOLD implementation of ChemScore and the reasons for this are discussed. Overall, GOLD has shown itself to be an extremely good, robust docking program for this system.

  3. A shuttle and space station manipulator system for assembly, docking, maintenance cargo handling and spacecraft retrieval (preliminary design). Volume 1: Management summary

    Science.gov (United States)

    1972-01-01

    A preliminary design is established for a general purpose manipulator system which can be used interchangeably on the shuttle and station and can be transferred back and forth between them. Control of the manipulator is accomplished by hard wiring from internal control stations in the shuttle or station. A variety of shuttle and station manipulator operations are considered including servicing the Large Space Telescope; however, emphasis is placed on unloading modules from the shuttle and assembling the space station. Simulation studies on foveal stereoscopic viewing and manipulator supervisory computer control have been accomplished to investigate the feasibility of their use in the manipulator system. The basic manipulator system consists of a single 18.3 m long, 7 degree of freedom (DOF), electrically acutated main boom with an auxiliary 3 DOF electrically actuated, extendible 18.3 m maximum length, lighting, and viewing boom. A 3 DOF orientor assembly is located at the tip of the viewing boom to provide camera pan, tilt, and roll.

  4. A shuttle and space station manipulator system for assembly, docking, maintenance, cargo handling and spacecraft retrieval (preliminary design). Volume 3: Concept analysis. Part 1: Technical

    Science.gov (United States)

    1972-01-01

    Information backing up the key features of the manipulator system concept and detailed technical information on the subsystems are presented. Space station assembly and shuttle cargo handling tasks are emphasized in the concept analysis because they involve shuttle berthing, transferring the manipulator boom between shuttle and station, station assembly, and cargo handling. Emphasis is also placed on maximizing commonality in the system areas of manipulator booms, general purpose end effectors, control and display, data processing, telemetry, dedicated computers, and control station design.

  5. A shuttle and space station manipulator system for assembly, docking, maintenance, cargo handling and spacecraft retrieval (preliminary design). Volume 2: Concept development and selection

    Science.gov (United States)

    1972-01-01

    The overall program background, the various system concepts considered, and the rationale for the selected design are described. The concepts for each subsystem are also described and compared. Details are given for the requirements, boom configuration and dynamics, actuators, man/machine interface and control, visual system, control system, environmental control and life support, data processing, and materials.

  6. A shuttle and space station manipulator system for assembly, docking, maintenance, cargo handling and spacecraft retrieval (preliminary design). Volume 3: Concept analysis. Part 2: Development program

    Science.gov (United States)

    1972-01-01

    A preliminary estimate is presented of the resources required to develop the basic general purpose walking boom manipulator system. It is assumed that the necessary full scale zero g test facilities will be available on a no cost basis. A four year development effort is also assumed and it is phased with an estimated shuttle development program since the shuttle will be developed prior to the space station. Based on delivery of one qualification unit and one flight unit and without including any ground support equipment or flight test support it is estimated (within approximately + or - 25%) that a total of 3551 man months of effort and $17,387,000 are required.

  7. RFP to work on formation flying capabilities for spacecrafts for the GRACE project

    DEFF Research Database (Denmark)

    Riis, Troels; Thuesen, Gøsta; Kilsgaard, Søren

    1999-01-01

    The National Aeronautics and Space Agency of USA, NASA, are working on formation flying capabilities for spacecrafts, GRACE Project. IAU and JPL are developing the inter spacecraft attitude link to be used on the two spacecrafts.......The National Aeronautics and Space Agency of USA, NASA, are working on formation flying capabilities for spacecrafts, GRACE Project. IAU and JPL are developing the inter spacecraft attitude link to be used on the two spacecrafts....

  8. Project Overview of the Naval Postgraduate School Spacecraft Architecture and Technology Demonstration Experiment

    National Research Council Canada - National Science Library

    Reuer, Charles

    2001-01-01

    The Naval Postgraduate School's current attempt at getting another spacecraft into orbit is focusing on Naval Postgraduate School Spacecraft Architecture and Technology Demonstration Experiment (NPSAT1...

  9. CPdock: the complementarity plot for docking of proteins: implementing multi-dielectric continuum electrostatics.

    Science.gov (United States)

    Basu, Sankar

    2017-12-07

    The complementarity plot (CP) is an established validation tool for protein structures, applicable to both globular proteins (folding) as well as protein-protein complexes (binding). It computes the shape and electrostatic complementarities (S m , E m ) for amino acid side-chains buried within the protein interior or interface and plots them in a two-dimensional plot having knowledge-based probabilistic quality estimates for the residues as well as for the whole structure. The current report essentially presents an upgraded version of the plot with the implementation of the advanced multi-dielectric functionality (as in Delphi version 6.2 or higher) in the computation of electrostatic complementarity to make the validation tool physico-chemically more realistic. The two methods (single- and multi-dielectric) agree decently in their resultant E m values, and hence, provisions for both methods have been kept in the software suite. So to speak, the global electrostatic balance within a well-folded protein and/or a well-packed interface seems only marginally perturbed by the choice of different internal dielectric values. However, both from theoretical as well as practical grounds, the more advanced multi-dielectric version of the plot is certainly recommended for potentially producing more reliable results. The report also presents a new methodology and a variant plot, namely CP dock , based on the same principles of complementarity specifically designed to be used in the docking of proteins. The efficacy of the method to discriminate between good and bad docked protein complexes has been tested on a recent state-of-the-art docking benchmark. The results unambiguously indicate that CP dock can indeed be effective in the initial screening phase of a docking scoring pipeline before going into more sophisticated and computationally expensive scoring functions. CP dock has been made available at https://github.com/nemo8130/CPdock . Graphical Abstract An example showing

  10. Integrating Standard Operating Procedures with Spacecraft Automation, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Spacecraft automation can be used to greatly reduce the demands on crew member and flight controllers time and attention. Automation can monitor critical resources,...

  11. A small spacecraft for multipoint measurement of ionospheric plasma

    Science.gov (United States)

    Roberts, T. M.; Lynch, K. A.; Clayton, R. E.; Weiss, J.; Hampton, D. L.

    2017-07-01

    Measurement of ionospheric plasma is often performed by a single in situ device or remotely using cameras and radar. This article describes a small, low-resource, deployed spacecraft used as part of a local, multipoint measurement network. A B-field aligned sounding rocket ejects four of these spin-stabilized spacecraft in a cross pattern. In this application, each spacecraft carries two retarding potential analyzers which are used to determine plasma density, flow, and ion temperature. An inertial measurement unit and a light-emitting diode array are used to determine the position and orientation of the devices after deployment. The design of this spacecraft is first described, and then results from a recent test flight are discussed. This flight demonstrated the successful operation of the deployment mechanism and telemetry systems, provided some preliminary plasma measurements in a simple mid-latitude environment, and revealed several design issues.

  12. High-Performance Contaminant Monitor for Spacecraft, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The Vision for Space Exploration demands increasing reliance on real-time trace gas monitors onboard spacecraft. Present grab samples and badges will be inadequate...

  13. LP MOON SPACECRAFT ATTITUDE V1.0

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Prospector attitude data set consists of values for the spacecraft spin rate and spin axis orientation (attitude) as a function of time. These values are...

  14. Odor Control in Spacecraft Waste Management, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Spacecraft and lunar bases generate a variety of wastes containing water, including food wastes, feces, and brines. Disposal of these wastes, as well as recovery of...

  15. Internal Mass Motion for Spacecraft Dynamics and Control

    National Research Council Canada - National Science Library

    Hall, Christopher D

    2008-01-01

    We present a detailed description of the application of a noncanonical Hamiltonian formulation to the modeling, analysis, and simulation of the dynamics of gyrostat spacecraft with internal mass motion...

  16. A Sustainable Spacecraft Component Database Solution, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerous spacecraft component databases have been developed to support NASA, DoD, and contractor design centers and design tools. Despite the clear utility of...

  17. Passive Devices for Advanced Fluid Management aboard Spacecraft, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Acute challenges are faced by the designers of fluid systems for spacecraft because of the persistently unfamiliar and unforgiving low-g environment. For example,...

  18. Diagnosing Faults in Electrical Power Systems of Spacecraft and Aircraft

    Data.gov (United States)

    National Aeronautics and Space Administration — Electrical power systems play a critical role in spacecraft and aircraft, and they exhibit a rich variety of failure modes. This paper discusses electrical power...

  19. Applicability of ISO 16697 Data to Spacecraft Fire Fighting Strategies

    Science.gov (United States)

    Hirsch, David B.; Beeson, Harold D.

    2012-01-01

    Presentation Agenda: (1) Selected variables affecting oxygen consumption during spacecraft fires, (2) General overview of ISO 16697, (3) Estimated amounts of material consumed during combustion in typical ISS enclosures, (4) Discussion on potential applications.

  20. Trace Contaminant Monitor for Air in Spacecraft, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A need exists for analyzers that can measure trace contaminants in air on board spacecraft. Toxic gas buildup can endanger the crew particularly during long...

  1. Nuclear-powered Hysat spacecraft: comparative design study

    International Nuclear Information System (INIS)

    Raab, B.

    1975-08-01

    The study shows that the all-nuclear spacecraft can have a substantial weight advantage over a hybrid (nuclear/solar) or all-solar spacecraft, owing to a further reduction in power requirement, and to the elimination of such equipment as the sensor gimbal and rotating joint assemblies. Because the need for a sun-oriented section is eliminated, the all-nuclear spacecraft can be designed as a monolithic structure, with the sensor and other payload firmly secured in a fixed position on the structure. This enhances attitude stability while minimizing structural weight and eliminating the need for flexible fluid lines. Sensor motion can be produced, varied, and controlled within the limits specified by the study contractors by moving the entire spacecraft in the prescribed pattern. A simple attitude control system using available hardware suffices to meet all requirements

  2. Conceptual definition of Automated Power Systems Management. [for planetary spacecraft

    Science.gov (United States)

    Imamura, M. S.; Skelly, L.; Weiner, H.

    1977-01-01

    Automated Power Systems Management (APSM) is defined as the capability of a spacecraft power system to automatically perform monitoring, computational, command, and control functions without ground intervention. Power systems for future planetary spacecraft must have this capability because they must perform up to 10 years, and accommodate real-time changes in mission execution autonomously. Specific APSM functions include fault detection, isolation, and correction; system performance and load profile prediction; power system optimization; system checkout; and data storage and transmission control. This paper describes the basic method of implementing these specific functions. The APSM hardware includes a central power system computer and a processor dedicated to each major power system subassembly along with digital interface circuitry. The major payoffs anticipated are in enhancement of spacecraft reliability and life and reduction of overall spacecraft program cost.

  3. Hard-real-time resource management for autonomous spacecraft

    Science.gov (United States)

    Gat, E.

    2000-01-01

    This paper describes tickets, a computational mechanism for hard-real-time autonomous resource management. Autonomous spacecraftcontrol can be considered abstractly as a computational process whose outputs are spacecraft commands.

  4. Spacecraft Water Regeneration by Catalytic Wet Air Oxidation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this project is to develop advanced catalysts for a volatile removal assembly used to purify spacecraft water. The innovation of the proposed...

  5. Modeling Vacuum Arcs On Spacecraft Solar Panel Arrays, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Spacecraft charging and subsequent vacuum arcing poses a significant threat to satellites in LEO and GEO plasma conditions. Localized arc discharges can cause a...

  6. Triple3 Redundant Spacecraft Subsystems (T3RSS), Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Redefine Technologies, along with researchers at the University of Colorado, will use three redundancy methods to decrease the susceptibility of a spacecraft, on a...

  7. The Physics and Technology of Solar Sail Spacecraft.

    Science.gov (United States)

    Dwivedi, B. N.; McInnes, C. R.

    1991-01-01

    Various aspects of the solar sail spacecraft such as solar sailing, solar sail design, navigation with solar sails, solar sail mission applications and future prospects for solar sailing are described. Several possible student projects are suggested. (KR)

  8. Micro GC's for Contaminant Monitoring in Spacecraft Air, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this proposal is to create new gas chromatographs (GCs) for contaminant monitoring in spacecraft air that do not require any reagents or special...

  9. High precision relative position sensing system for formation flying spacecraft

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop and test an optical sensing system that provides high precision relative position sensing for formation flying spacecraft.  A high precision...

  10. Distributed Control Architectures for Precision Spacecraft Formations, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — LaunchPoint Technologies, Inc. (LaunchPoint) proposes to develop synthesis methods and design architectures for distributed control systems in precision spacecraft...

  11. Passive Wireless Sensors for Spacecraft Applications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — New classes of sensors are needed on spacecraft that can be interrogated remotely using RF signals and respond with the sensor's identity as well as the...

  12. Stability Analysis of Spacecraft Motion in the Vicinity of Asteroids

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of my proposal is to determine the stability of a spacecraft when in the vicinity of an asteroid. Orbiting an asteroid is a difficult task. The unique...

  13. Charge Dissipating Transparent Conformal Coatings for Spacecraft Electronics, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The space environment poses significant challenges to spacecraft electronics in the form of electrostatic discharge (ESD) as a result of exposure to highly charged...

  14. A Fault-tolerant RISC Microprocessor for Spacecraft Applications

    Science.gov (United States)

    Timoc, Constantin; Benz, Harry

    1990-01-01

    Viewgraphs on a fault-tolerant RISC microprocessor for spacecraft applications are presented. Topics covered include: reduced instruction set computer; fault tolerant registers; fault tolerant ALU; and double rail CMOS logic.

  15. Revamping Spacecraft Operational Intelligence with Splunk

    Science.gov (United States)

    Hwang, Victor

    2012-01-01

    So what is Splunk? Instead of giving the technical details, which you can find online, I'll tell you what it did for me. Splunk slapped everything into one place, with one uniform format, and gave me the ability to forget about all these annoying details of where it is, how to parse it, and all that. Instead, I only need to interact with Splunk to find the data I need. This sounds simple and obvious, but it's surprising what you can do once you all of your data is indexed in one place. By having your data organized, querying becomes much easier. Let's say that I want to search telemetry for a sensor_name gtemp_1 h and to return all data that is at most five minutes old. And because Splunk can hook into a real ]time stream, this data will always be up-to-date. Extending the previous example, I can now aggregate all types of data into one view based in time. In this picture, I've got transaction logs, telemetry, and downlinked files all in one page, organized by time. Even though the raw data looks completely than this, I've defined interfaces that transform it into this uniform format. This gives me a more complete picture for the question what was the spacecraft doing at this particular time? And because querying data is simple, I can start with a big block of data and whiddle it down to what I need, rather than hunting around for the individual pieces of data that I need. When we have all the data we need, we can begin widdling down the data with Splunk's Unix-like search syntax. These three examples highlights my trial-and-error attempts to find large temperature changes. I begin by showing the first 5 temperatures, only to find that they're sorted chronologically, rather than from highest temperatures to lowest temperatures. The next line shows sorting temperatures by their values, but I find that that fs not really what I want either. I want to know the delta temperatures between readings. Looking through Splunk's user manual, I find the delta function, which

  16. NASA Spacecraft Fault Management Workshop Results

    Science.gov (United States)

    Newhouse, Marilyn; McDougal, John; Barley, Bryan; Fesq, Lorraine; Stephens, Karen

    2010-01-01

    tools that have not kept pace with the increasing complexity of mission requirements and spacecraft systems. This paper summarizes the findings and recommendations from that workshop, as well as opportunities identified for future investment in tools, processes, and products to facilitate the development of space flight fault management capabilities.

  17. Passive Plasma Contact Mechanisms for Small-Scale Spacecraft

    Science.gov (United States)

    McTernan, Jesse K.

    Small-scale spacecraft represent a paradigm shift in how entities such as academia, industry, engineering firms, and the scientific community operate in space. However, although the paradigm shift produces unique opportunities to build satellites in unique ways for novel missions, there are also significant challenges that must be addressed. This research addresses two of the challenges associated with small-scale spacecraft: 1) the miniaturization of spacecraft and associated instrumentation and 2) the need to transport charge across the spacecraft-environment boundary. As spacecraft decrease in size, constraints on the size, weight, and power of on-board instrumentation increase--potentially limiting the instrument's functionality or ability to integrate with the spacecraft. These constraints drive research into mechanisms or techniques that use little or no power and efficiently utilize existing resources. One limited resource on small-scale spacecraft is outer surface area, which is often covered with solar panels to meet tight power budgets. This same surface area could also be needed for passive neutralization of spacecraft charging. This research explores the use of a transparent, conductive layer on the solar cell coverglass that is electrically connected to spacecraft ground potential. This dual-purpose material facilitates the use of outer surfaces for both energy harvesting of solar photons as well as passive ion collection. Mission capabilities such as in-situ plasma measurements that were previously infeasible on small-scale platforms become feasible with the use of indium tin oxide-coated solar panel coverglass. We developed test facilities that simulate the space environment in low Earth orbit to test the dual-purpose material and the various application of this approach. Particularly, this research is in support of two upcoming missions: OSIRIS-3U, by Penn State's Student Space Programs Lab, and MiTEE, by the University of Michigan. The purpose of

  18. Dock/Nck facilitates PTP61F/PTP1B regulation of insulin signalling.

    Science.gov (United States)

    Wu, Chia-Lun; Buszard, Bree; Teng, Chun-Hung; Chen, Wei-Lin; Warr, Coral G; Tiganis, Tony; Meng, Tzu-Ching

    2011-10-01

    PTP1B (protein tyrosine phosphatase 1B) is a negative regulator of IR (insulin receptor) activation and glucose homoeostasis, but the precise molecular mechanisms governing PTP1B substrate selectivity and the regulation of insulin signalling remain unclear. In the present study we have taken advantage of Drosophila as a model organism to establish the role of the SH3 (Src homology 3)/SH2 adaptor protein Dock (Dreadlocks) and its mammalian counterpart Nck in IR regulation by PTPs. We demonstrate that the PTP1B orthologue PTP61F dephosphorylates the Drosophila IR in S2 cells in vitro and attenuates IR-induced eye overgrowth in vivo. Our studies indicate that Dock forms a stable complex with PTP61F and that Dock/PTP61F associate with the IR in response to insulin. We report that Dock is required for effective IR dephosphorylation and inactivation by PTP61F in vitro and in vivo. Furthermore, we demonstrate that Nck interacts with PTP1B and that the Nck/PTP1B complex inducibly associates with the IR for the attenuation of IR activation in mammalian cells. Our studies reveal for the first time that the adaptor protein Dock/Nck attenuates insulin signalling by recruiting PTP61F/PTP1B to its substrate, the IR.

  19. Dynamics and control of Lorentz-augmented spacecraft relative motion

    CERN Document Server

    Yan, Ye; Yang, Yueneng

    2017-01-01

    This book develops a dynamical model of the orbital motion of Lorentz spacecraft in both unperturbed and J2-perturbed environments. It explicitly discusses three kinds of typical space missions involving relative orbital control: spacecraft hovering, rendezvous, and formation flying. Subsequently, it puts forward designs for both open-loop and closed-loop control schemes propelled or augmented by the geomagnetic Lorentz force. These control schemes are entirely novel and represent a significantly departure from previous approaches.

  20. Protecting Spacecraft Fragments from Exposure to Small Debris

    OpenAIRE

    V. V. Zelentsov

    2015-01-01

    Since the launch of the first artificial Earth satellite a large amount of space debris has been accumulated in near-earth space. This debris comprises the exhausted spacecrafts, final stages of rocket-carriers and boosters, technological space junk, consisting of the structure elements, which are separated when deploying the solar arrays, antennas etc., as well as when undocking a booster and a spacecraft. All the debris is divided into observable one of over 100 mm in size and unobservable ...

  1. Vibration Antiresonance Design for a Spacecraft Multifunctional Structure

    OpenAIRE

    Li, Dong-Xu; Liu, Wang; Hao, Dong

    2017-01-01

    Spacecraft must withstand rigorous mechanical environment experiences such as acceleration, noise, vibration, and shock during the process of launching, satellite-vehicle separation, and so on. In this paper, a new spacecraft multifunctional structure concept designed by us is introduced. The multifunctional structure has the functions of not only load bearing, but also vibration reduction, energy source, thermal control, and so on, and we adopt a series of viscoelastic parts as connections b...

  2. Darwinian Spacecraft: Soft Computing Strategies Breeding Better, Faster Cheaper

    Science.gov (United States)

    Noever, David A.; Baskaran, Subbiah

    1999-01-01

    Computers can create infinite lists of combinations to try to solve a particular problem, a process called "soft-computing." This process uses statistical comparables, neural networks, genetic algorithms, fuzzy variables in uncertain environments, and flexible machine learning to create a system which will allow spacecraft to increase robustness, and metric evaluation. These concepts will allow for the development of a spacecraft which will allow missions to be performed at lower costs.

  3. Mesh Network Architecture for Enabling Inter-Spacecraft Communication

    Science.gov (United States)

    Becker, Christopher; Merrill, Garrick

    2017-01-01

    To enable communication between spacecraft operating in a formation or small constellation, a mesh network architecture was developed and tested using a time division multiple access (TDMA) communication scheme. The network is designed to allow for the exchange of telemetry and other data between spacecraft to enable collaboration between small spacecraft. The system uses a peer-to-peer topology with no central router, so that it does not have a single point of failure. The mesh network is dynamically configurable to allow for addition and subtraction of new spacecraft into the communication network. Flight testing was performed using an unmanned aerial system (UAS) formation acting as a spacecraft analogue and providing a stressing environment to prove mesh network performance. The mesh network was primarily devised to provide low latency, high frequency communication but is flexible and can also be configured to provide higher bandwidth for applications desiring high data throughput. The network includes a relay functionality that extends the maximum range between spacecraft in the network by relaying data from node to node. The mesh network control is implemented completely in software making it hardware agnostic, thereby allowing it to function with a wide variety of existing radios and computing platforms..

  4. Time maintenance system for the BMDO MSX spacecraft

    Science.gov (United States)

    Hermes, Martin J.

    1994-01-01

    The Johns Hopkins University Applied Physics Laboratory (APL) is responsible for designing and implementing a clock maintenance system for the Ballistic Missile Defense Organizations (BMDO) Midcourse Space Experiment (MSX) spacecraft. The MSX spacecraft has an on-board clock that will be used to control execution of time-dependent commands and to time tag all science and housekeeping data received from the spacecraft. MSX mission objectives have dictated that this spacecraft time, UTC(MSX), maintain a required accuracy with respect to UTC(USNO) of +/- 10 ms with a +/- 1 ms desired accuracy. APL's atomic time standards and the downlinked spacecraft time were used to develop a time maintenance system that will estimate the current MSX clock time offset during an APL pass and make estimates of the clock's drift and aging using the offset estimates from many passes. Using this information, the clock's accuracy will be maintained by uplinking periodic clock correction commands. The resulting time maintenance system is a combination of offset measurement, command/telemetry, and mission planning hardware and computing assets. All assets provide necessary inputs for deciding when corrections to the MSX spacecraft clock must be made to maintain its required accuracy without inhibiting other mission objectives. The MSX time maintenance system is described as a whole and the clock offset measurement subsystem, a unique combination of precision time maintenance and measurement hardware controlled by a Macintosh computer, is detailed. Simulations show that the system estimates the MSX clock offset to less than+/- 33 microseconds.

  5. An Orbit Propagation Software for Mars Orbiting Spacecraft

    Directory of Open Access Journals (Sweden)

    Young-Joo Song

    2004-12-01

    Full Text Available An orbit propagation software for the Mars orbiting spacecraft has been developed and verified in preparations for the future Korean Mars missions. Dynamic model for Mars orbiting spacecraft has been studied, and Mars centered coordinate systems are utilized to express spacecraft state vectors. Coordinate corrections to the Mars centered coordinate system have been made to adjust the effects caused by Mars precession and nutation. After spacecraft enters Sphere of Influence (SOI of the Mars, the spacecraft experiences various perturbation effects as it approaches to Mars. Every possible perturbation effect is considered during integrations of spacecraft state vectors. The Mars50c gravity field model and the Mars-GRAM 2001 model are used to compute perturbation effects due to Mars gravity field and Mars atmospheric drag, respectively. To compute exact locations of other planets, JPL's DE405 ephemerides are used. Phobos and Deimos's ephemeris are computed using analytical method because their informations are not released with DE405. Mars Global Surveyor's mapping orbital data are used to verify the developed propagator performances. After one Martian day propagation (12 orbital periods, the results show about maximum ±5 meter errors, in every position state components(radial, cross-track and along-track, when compared to these from the Astrogator propagation in the Satellite Tool Kit. This result shows high reliability of the developed software which can be used to design near Mars missions for Korea, in future.

  6. Long-term orbit prediction for China's Tiangong-1 spacecraft based on mean atmosphere model

    Science.gov (United States)

    Tang, Jingshi; Liu, Lin; Miao, Manqian

    Tiangong-1 is China's test module for future space station. It has gone through three successful rendezvous and dockings with Shenzhou spacecrafts from 2011 to 2013. For the long-term management and maintenance, the orbit sometimes needs to be predicted for a long period of time. As Tiangong-1 works in a low-Earth orbit with an altitude of about 300-400 km, the error in the a priori atmosphere model contributes significantly to the rapid increase of the predicted orbit error. When the orbit is predicted for 10-20 days, the error in the a priori atmosphere model, if not properly corrected, could induce the semi-major axis error and the overall position error up to a few kilometers and several thousand kilometers respectively. In this work, we use a mean atmosphere model averaged from NRLMSIS00. The a priori reference mean density can be corrected during precise orbit determination (POD). For applications in the long-term orbit prediction, the observations are first accumulated. With sufficiently long period of observations, we are able to obtain a series of the diurnal mean densities. This series bears the recent variation of the atmosphere density and can be analyzed for various periods. After being properly fitted, the mean density can be predicted and then applied in the orbit prediction. We show that the densities predicted with this approach can serve to increase the accuracy of the predicted orbit. In several 20-day prediction tests, most predicted orbits show semi-major axis errors better than 700m and overall position errors better than 600km.

  7. Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions.

    Science.gov (United States)

    Peterson, Lenna X; Kim, Hyungrae; Esquivel-Rodriguez, Juan; Roy, Amitava; Han, Xusi; Shin, Woong-Hee; Zhang, Jian; Terashi, Genki; Lee, Matt; Kihara, Daisuke

    2017-03-01

    We report the performance of protein-protein docking predictions by our group for recent rounds of the Critical Assessment of Prediction of Interactions (CAPRI), a community-wide assessment of state-of-the-art docking methods. Our prediction procedure uses a protein-protein docking program named LZerD developed in our group. LZerD represents a protein surface with 3D Zernike descriptors (3DZD), which are based on a mathematical series expansion of a 3D function. The appropriate soft representation of protein surface with 3DZD makes the method more tolerant to conformational change of proteins upon docking, which adds an advantage for unbound docking. Docking was guided by interface residue prediction performed with BindML and cons-PPISP as well as literature information when available. The generated docking models were ranked by a combination of scoring functions, including PRESCO, which evaluates the native-likeness of residues' spatial environments in structure models. First, we discuss the overall performance of our group in the CAPRI prediction rounds and investigate the reasons for unsuccessful cases. Then, we examine the performance of several knowledge-based scoring functions and their combinations for ranking docking models. It was found that the quality of a pool of docking models generated by LZerD, that is whether or not the pool includes near-native models, can be predicted by the correlation of multiple scores. Although the current analysis used docking models generated by LZerD, findings on scoring functions are expected to be universally applicable to other docking methods. Proteins 2017; 85:513-527. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  8. Autonomous docking control of visual-servo type underwater vehicle system aiming at underwater automatic charging

    International Nuclear Information System (INIS)

    Yanou, Akira; Ohnishi, Shota; Ishiyama, Shintaro; Minami, Mamoru

    2015-01-01

    A visual-servo type remotely operated vehicle (ROV) system with binocular wide-angle lens was developed to survey submarine resources, decontaminate radiation from mud in dam lake and so on. This paper explores the experiments on regulator performance and underwater docking of the robot system utilizing Genetic Algorithm (GA) for real-time recognition of the robot's relative position and posture through 3D marker. The visual servoing performances have been verified as follows; (1) The stability performances of the proposed regulator system have been evaluated by exerting abrupt distrubane force while the ROV is controlled by visual servoing. (2) The proposed system can track time-variant desired target position in x-axis (front-back direction of the robot). (3) The underwater docking can be completed by switching visual servoing and docking modes based on the error threshold, and by giving time-varying desired target position and orientation to the controller as a desired pose. (author)

  9. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

    Directory of Open Access Journals (Sweden)

    A. V. Sulimov

    2017-01-01

    Full Text Available Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

  10. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

    Science.gov (United States)

    Sulimov, A V; Kutov, D C; Katkova, E V; Sulimov, V B

    2017-01-01

    Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

  11. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations

    Science.gov (United States)

    Selwa, Edithe; Elisée, Eddy; Zavala, Agustin; Iorga, Bogdan I.

    2018-01-01

    Our participation to the D3R Grand Challenge 2 involved a protocol in two steps, with an initial analysis of the available structural data from the PDB allowing the selection of the most appropriate combination of docking software and scoring function. Subsequent docking calculations showed that the pose prediction can be carried out with a certain precision, but this is dependent on the specific nature of the ligands. The correct ranking of docking poses is still a problem and cannot be successful in the absence of good pose predictions. Our free energy calculations on two different subsets provided contrasted results, which might have the origin in non-optimal force field parameters associated with the sulfonamide chemical moiety.

  12. A role of proton transfer in peroxidase-catalyzed process elucidated by substrates docking calculations

    Directory of Open Access Journals (Sweden)

    Ziemys Arturas

    2001-08-01

    Full Text Available Abstract Background Previous kinetic investigations of fungal-peroxidase catalyzed oxidation of N-aryl hydroxamic acids (AHAs and N-aryl-N-hydroxy urethanes (AHUs revealed that the rate of reaction was independent of the formal redox potential of substrates. Moreover, the oxidation rate was 3–5 orders of magnitude less than for oxidation of physiological phenol substrates, though the redox potential was similar. Results To explain the unexpectedly low reactivity of AHAs and AHUs we made ab initio calculations of the molecular structure of the substrates following in silico docking in the active center of the enzyme. Conclusions AHAs and AHUs were docked at the distal side of heme in the sites formed by hydrophobic amino acid residues that retarded a proton transfer and finally the oxidation rate. The analogous phenol substrates were docked at different sites permitting fast proton transfer in the relay of distal His and water that helped fast substrate oxidation.

  13. Domain requirements for the Dock adapter protein in growth- cone signaling.

    Science.gov (United States)

    Rao, Y; Zipursky, S L

    1998-03-03

    Tyrosine phosphorylation has been implicated in growth-cone guidance through genetic, biochemical, and pharmacological studies. Adapter proteins containing src homology 2 (SH2) domains and src homology 3 (SH3) domains provide a means of linking guidance signaling through phosphotyrosine to downstream effectors regulating growth-cone motility. The Drosophila adapter, Dreadlocks (Dock), the homolog of mammalian Nck containing three N-terminal SH3 domains and a single SH2 domain, is highly specialized for growth-cone guidance. In this paper, we demonstrate that Dock can couple signals in either an SH2-dependent or an SH2-independent fashion in photoreceptor (R cell) growth cones, and that Dock displays different domain requirements in different neurons.

  14. Enabling Advanced Automation in Spacecraft Operations with the Spacecraft Emergency Response System

    Science.gov (United States)

    Breed, Julie; Fox, Jeffrey A.; Powers, Edward I. (Technical Monitor)

    2001-01-01

    True autonomy is the Holy Grail of spacecraft mission operations. The goal of launching a satellite and letting it manage itself throughout its useful life is a worthy one. With true autonomy, the cost of mission operations would be reduced to a negligible amount. Under full autonomy, any problems (no matter the severity or type) that may arise with the spacecraft would be handled without any human intervention via some combination of smart sensors, on-board intelligence, and/or smart automated ground system. Until the day that complete autonomy is practical and affordable to deploy, incremental steps of deploying ever-increasing levels of automation (computerization of once manual tasks) on the ground and on the spacecraft are gradually decreasing the cost of mission operations. For example, NASA's Goddard Space Flight Center (NASA-GSFC) has been flying spacecraft with low cost operations for several years. NASA-GSFC's SMEX (Small Explorer) and MIDEX (Middle Explorer) missions have effectively deployed significant amounts of automation to enable the missions to fly predominately in 'light-out' mode. Under light-out operations the ground system is run without human intervention. Various tools perform many of the tasks previously performed by the human operators. One of the major issues in reducing human staff in favor of automation is the perceived increased in risk of losing data, or even losing a spacecraft, because of anomalous conditions that may occur when there is no one in the control center. When things go wrong, missions deploying advanced automation need to be sure that anomalous conditions are detected and that key personal are notified in a timely manner so that on-call team members can react to those conditions. To ensure the health and safety of its lights-out missions, NASA-GSFC's Advanced Automation and Autonomy branch (Code 588) developed the Spacecraft Emergency Response System (SERS). The SERS is a Web-based collaborative environment that enables

  15. Topology Optimization of Spacecraft Transfer Compartment

    Directory of Open Access Journals (Sweden)

    A. A. Borovikov

    2016-01-01

    Full Text Available IntroductionThe subject of this research is topology optimization of the adapter of a spacecraft transfer compartment. The finite element topology optimization [1] is widely used for simple structure elements [6, 7]. It is argued that using this method in conjunction with additive technology (3D - printing it is possible to create construction designs with the best weight characteristics. However, the paper shows that when applying this method to a complex construction design the optimization results are highly sensitive to optimization algorithm parameters. The goal of this research is to study parameters of the topology optimization algorithm and the influence of their variations on results.1.      Problem formulation   A commercial software Altair HyperWorks/OptiStruct (student’s license performed numerical calculations. The paper presents a detailed description of the finite element model.The main features of the proposed model are as follows:-          Simplicity with non-complicated geometry;-          Building a finite element model in terms of computing time minimization;-          Using the lumped mass elements to simulate the impacts of the conjugates on the adapter;-          A limit of material strength, decreased by an order of magnitude, to eliminate stress concentrators;-          The gravitational load applied corresponds to the loads for the Angara-A5 launcher [8]. 2.      Method of solutionA brief description of the SIMP-method realized in the Altair HyperWorks/OptiStruct software is given.3.      ResultsPerformed numerical calculations, and shown the influence of variations of algorithm parameters (DISCRETE, MATINIT, MINDIM, MAXDIM on construction design as well as the parameters SINGLE and SPLIT used to reveal restrictions on manufacturing.Shown that, depending on variations of parameters, an adapter construction strives to «truss» or «shell» type. Described

  16. The Drosophila DOCK family protein Sponge is required for development of the air sac primordium

    Energy Technology Data Exchange (ETDEWEB)

    Morishita, Kazushge; Anh Suong, Dang Ngoc; Yoshida, Hideki; Yamaguchi, Masamitsu, E-mail: myamaguc@kit.ac.jp

    2017-05-15

    Dedicator of cytokinesis (DOCK) family genes are known as DOCK1-DOCK11 in mammals. DOCK family proteins mainly regulate actin filament polymerization and/or depolymerization and are GEF proteins, which contribute to cellular signaling events by activating small G proteins. Sponge (Spg) is a Drosophila counterpart to mammalian DOCK3/DOCK4, and plays a role in embryonic central nervous system development, R7 photoreceptor cell differentiation, and adult thorax development. In order to conduct further functional analyses on Spg in vivo, we examined its localization in third instar larval wing imaginal discs. Immunostaining with purified anti-Spg IgG revealed that Spg mainly localized in the air sac primordium (ASP) in wing imaginal discs. Spg is therefore predicted to play an important role in the ASP. The specific knockdown of Spg by the breathless-GAL4 driver in tracheal cells induced lethality accompanied with a defect in ASP development and the induction of apoptosis. The monitoring of ERK signaling activity in wing imaginal discs by immunostaining with anti-diphospho-ERK IgG revealed reductions in the ERK signal cascade in Spg knockdown clones. Furthermore, the overexpression of D-raf suppressed defects in survival and the proliferation of cells in the ASP induced by the knockdown of Spg. Collectively, these results indicate that Spg plays a critical role in ASP development and tracheal cell viability that is mediated by the ERK signaling pathway. - Highlights: • Spg mainly localizes in the air sac primordium in wing imaginal discs. • Spg plays a critical role in air sac primordium development. • Spg positively regulates the ERK signal cascade.

  17. The Rac Activator DOCK2 Mediates Plasma Cell Differentiation and IgG Antibody Production

    Directory of Open Access Journals (Sweden)

    Miho Ushijima

    2018-02-01

    Full Text Available A hallmark of humoral immune responses is the production of antibodies. This process involves a complex cascade of molecular and cellular interactions, including recognition of specific antigen by the B cell receptor (BCR, which triggers activation of B cells and differentiation into plasma cells (PCs. Although activation of the small GTPase Rac has been implicated in BCR-mediated antigen recognition, its precise role in humoral immunity and the upstream regulator remain elusive. DOCK2 is a Rac-specific guanine nucleotide exchange factor predominantly expressed in hematopoietic cells. We found that BCR-mediated Rac activation was almost completely lost in DOCK2-deficient B cells, resulting in defects in B cell spreading over the target cell-membrane and sustained growth of BCR microclusters at the interface. When wild-type B cells were stimulated in vitro with anti-IgM F(ab′2 antibody in the presence of IL-4 and IL-5, they differentiated efficiently into PCs. However, BCR-mediated PC differentiation was severely impaired in the case of DOCK2-deficient B cells. Similar results were obtained in vivo when DOCK2-deficient B cells expressing a defined BCR specificity were adoptively transferred into mice and challenged with the cognate antigen. In addition, by generating the conditional knockout mice, we found that DOCK2 expression in B-cell lineage is required to mount antigen-specific IgG antibody. These results highlight important role of the DOCK2–Rac axis in PC differentiation and IgG antibody responses.

  18. The Rac Activator DOCK2 Mediates Plasma Cell Differentiation and IgG Antibody Production.

    Science.gov (United States)

    Ushijima, Miho; Uruno, Takehito; Nishikimi, Akihiko; Sanematsu, Fumiyuki; Kamikaseda, Yasuhisa; Kunimura, Kazufumi; Sakata, Daiji; Okada, Takaharu; Fukui, Yoshinori

    2018-01-01

    A hallmark of humoral immune responses is the production of antibodies. This process involves a complex cascade of molecular and cellular interactions, including recognition of specific antigen by the B cell receptor (BCR), which triggers activation of B cells and differentiation into plasma cells (PCs). Although activation of the small GTPase Rac has been implicated in BCR-mediated antigen recognition, its precise role in humoral immunity and the upstream regulator remain elusive. DOCK2 is a Rac-specific guanine nucleotide exchange factor predominantly expressed in hematopoietic cells. We found that BCR-mediated Rac activation was almost completely lost in DOCK2-deficient B cells, resulting in defects in B cell spreading over the target cell-membrane and sustained growth of BCR microclusters at the interface. When wild-type B cells were stimulated in vitro with anti-IgM F(ab') 2 antibody in the presence of IL-4 and IL-5, they differentiated efficiently into PCs. However, BCR-mediated PC differentiation was severely impaired in the case of DOCK2-deficient B cells. Similar results were obtained in vivo when DOCK2-deficient B cells expressing a defined BCR specificity were adoptively transferred into mice and challenged with the cognate antigen. In addition, by generating the conditional knockout mice, we found that DOCK2 expression in B-cell lineage is required to mount antigen-specific IgG antibody. These results highlight important role of the DOCK2-Rac axis in PC differentiation and IgG antibody responses.

  19. Differential Regulation of Synaptic Vesicle Tethering and Docking by UNC-18 and TOM-1.

    Science.gov (United States)

    Gracheva, Elena O; Maryon, Ed B; Berthelot-Grosjean, Martine; Richmond, Janet E

    2010-01-01

    The assembly of SNARE complexes between syntaxin, SNAP-25 and synaptobrevin is required to prime synaptic vesicles for fusion. Since Munc18 and tomosyn compete for syntaxin interactions, the interplay between these proteins is predicted to be important in regulating synaptic transmission. We explored this possibility, by examining genetic interactions between C. elegans unc-18(Munc18), unc-64(syntaxin) and tom-1(tomosyn). We have previously demonstrated that unc-18 mutants have reduced synaptic transmission, whereas tom-1 mutants exhibit enhanced release. Here we show that the unc-18 mutant release defect is associated with loss of two morphologically distinct vesicle pools; those tethered within 25 nm of the plasma membrane and those docked with the plasma membrane. In contrast, priming defective unc-13 mutants accumulate tethered vesicles, while docked vesicles are greatly reduced, indicating tethering is UNC-18-dependent and occurs in the absence of priming. C. elegans unc-64 mutants phenocopy unc-18 mutants, losing both tethered and docked vesicles, whereas overexpression of open syntaxin preferentially increases vesicle docking, suggesting UNC-18/closed syntaxin interactions are responsible for vesicle tethering. Given the competition between vertebrate tomosyn and Munc18, for syntaxin binding, we hypothesized that C. elegans TOM-1 may inhibit both UNC-18-dependent vesicle targeting steps. Consistent with this hypothesis, tom-1 mutants exhibit enhanced UNC-18 plasma membrane localization and a concomitant increase in both tethered and docked synaptic vesicles. Furthermore, in tom-1;unc-18 double mutants the docked, primed vesicle pool is preferentially rescued relative to unc-18 single mutants. Together these data provide evidence for the differential regulation of two vesicle targeting steps by UNC-18 and TOM-1 through competitive interactions with syntaxin.

  20. In silico predictive studies of mAHR congener binding using homology modelling and molecular docking.

    Science.gov (United States)

    Panda, Roshni; Cleave, A Suneetha Susan; Suresh, P K

    2014-09-01

    The aryl hydrocarbon receptor (AHR) is one of the principal xenobiotic, nuclear receptor that is responsible for the early events involved in the transcription of a complex set of genes comprising the CYP450 gene family. In the present computational study, homology modelling and molecular docking were carried out with the objective of predicting the relationship between the binding efficiency and the lipophilicity of different polychlorinated biphenyl (PCB) congeners and the AHR in silico. Homology model of the murine AHR was constructed by several automated servers and assessed by PROCHECK, ERRAT, VERIFY3D and WHAT IF. The resulting model of the AHR by MODWEB was used to carry out molecular docking of 36 PCB congeners using PatchDock server. The lipophilicity of the congeners was predicted using the XLOGP3 tool. The results suggest that the lipophilicity influences binding energy scores and is positively correlated with the same. Score and Log P were correlated with r = +0.506 at p = 0.01 level. In addition, the number of chlorine (Cl) atoms and Log P were highly correlated with r = +0.900 at p = 0.01 level. The number of Cl atoms and scores also showed a moderate positive correlation of r = +0.481 at p = 0.01 level. To the best of our knowledge, this is the first study employing PatchDock in the docking of AHR to the environmentally deleterious congeners and attempting to correlate structural features of the AHR with its biochemical properties with regards to PCBs. The result of this study are consistent with those of other computational studies reported in the previous literature that suggests that a combination of docking, scoring and ranking organic pollutants could be a possible predictive tool for investigating ligand-mediated toxicity, for their subsequent validation using wet lab-based studies. © The Author(s) 2012.

  1. Molecular dynamics modeling the synthetic and biological polymers interactions pre-studied via docking

    Science.gov (United States)

    Tsvetkov, Vladimir B.; Serbin, Alexander V.

    2014-06-01

    In previous works we reported the design, synthesis and in vitro evaluations of synthetic anionic polymers modified by alicyclic pendant groups (hydrophobic anchors), as a novel class of inhibitors of the human immunodeficiency virus type 1 ( HIV-1) entry into human cells. Recently, these synthetic polymers interactions with key mediator of HIV-1 entry-fusion, the tri-helix core of the first heptad repeat regions [ HR1]3 of viral envelope protein gp41, were pre-studied via docking in terms of newly formulated algorithm for stepwise approximation from fragments of polymeric backbone and side-group models toward real polymeric chains. In the present article the docking results were verified under molecular dynamics ( MD) modeling. In contrast with limited capabilities of the docking, the MD allowed of using much more large models of the polymeric ligands, considering flexibility of both ligand and target simultaneously. Among the synthesized polymers the dinorbornen anchors containing alternating copolymers of maleic acid were selected as the most representative ligands (possessing the top anti-HIV activity in vitro in correlation with the highest binding energy in the docking). To verify the probability of binding of the polymers with the [HR1]3 in the sites defined via docking, various starting positions of polymer chains were tried. The MD simulations confirmed the main docking-predicted priority for binding sites, and possibilities for axial and belting modes of the ligands-target interactions. Some newly MD-discovered aspects of the ligand's backbone and anchor units dynamic cooperation in binding the viral target clarify mechanisms of the synthetic polymers anti-HIV activity and drug resistance prevention.

  2. Differential regulation of synaptic vesicle tethering and docking by UNC-18 and TOM-1

    Directory of Open Access Journals (Sweden)

    Elena O Gracheva

    2010-10-01

    Full Text Available The assembly of SNARE complexes between syntaxin, SNAP-25 and synaptobrevin is required to prime synaptic vesicles for fusion. Since Munc18 and tomosyn compete for syntaxin interactions, the interplay between these proteins is predicted to be important in regulating synaptic transmission. We explored this possibility, by examining genetic interactions between C. elegans unc-18(Munc18, unc-64(syntaxin and tom-1(tomosyn. We have previously demonstrated that unc-18 mutants have reduced synaptic transmission, whereas tom-1 mutants exhibit enhanced release. Here we show that the unc-18 mutant release defect is associated with loss of two morphologically distinct vesicle pools; those tethered within 25nm of the plasma membrane and those docked with the plasma membrane. In contrast, priming defective unc-13 mutants accumulate tethered vesicles, while docked vesicles are greatly reduced, indicating tethering is UNC-18-dependent and occurs in the absence of priming. C. elegans unc-64 mutants phenocopy unc-18 mutants, losing both tethered and docked vesicles, whereas overexpression of open syntaxin preferentially increases vesicle docking, suggesting UNC-18/closed syntaxin interactions are responsible for vesicle tethering. Given the competition between vertebrate tomosyn and Munc18, for syntaxin binding, we hypothesized that C. elegans TOM-1 may inhibit both UNC-18-dependent vesicle targeting steps. Consistent with this hypothesis, tom-1 mutants exhibit enhanced UNC-18 plasma membrane localization and a concomitant increase in both tethered and docked synaptic vesicles. Furthermore, in tom-1;unc-18 double mutants the docked, primed vesicle pool is preferentially rescued relative to unc-18 single mutants. Together these data provide evidence for the differential regulation of two vesicle targeting steps by UNC-18 and TOM-1 through competitive interactions with syntaxin

  3. Technical Note: Mobile accelerator guidance using an optical tracker during docking in IOERT procedures.

    Science.gov (United States)

    Marinetto, Eugenio; Victores, Juan González; García-Sevilla, Mónica; Muñoz, Mercedes; Calvo, Felipe Ángel; Balaguer, Carlos; Desco, Manuel; Pascau, Javier

    2017-10-01

    Intraoperative electron radiation therapy (IOERT) involves the delivery of a high radiation dose during tumor resection in a shorter time than other radiation techniques, thus improving local control of tumors. However, a linear accelerator device is needed to produce the beam safely. Mobile linear accelerators have been designed as dedicated units that can be moved into the operating room and deliver radiation in situ. Correct and safe dose delivery is a key concern when using mobile accelerators. The applicator is commonly fixed to the patient's bed to ensure that the dose is delivered to the prescribed location, and the mobile accelerator is moved to dock the applicator to the radiation beam output (gantry). In a typical clinical set-up, this task is time-consuming because of safety requirements and the limited degree of freedom of the gantry. The objective of this study was to present a navigation solution based on optical tracking for guidance of docking to improve safety and reduce procedure time. We used an optical tracker attached to the mobile linear accelerator to track the prescribed localization of the radiation collimator inside the operating room. Using this information, the integrated navigation system developed computes the movements that the mobile linear accelerator needs to perform to align the applicator and the radiation gantry and warns the physician if docking is unrealizable according to the available degrees of freedom of the mobile linear accelerator. Furthermore, we coded a software application that connects all the necessary functioning elements and provides a user interface for the system calibration and the docking guidance. The system could safeguard against the spatial limitations of the operating room, calculate the optimal arrangement of the accelerator and reduce the docking time in computer simulations and experimental setups. The system could be used to guide docking with any commercial linear accelerator. We believe that the

  4. Synthesis and characterization of curcumin-sulfonamide hybrids: Biological evaluation and molecular docking studies

    Science.gov (United States)

    Banuppriya, Govindharasu; Sribalan, Rajendran; Padmini, Vediappen

    2018-03-01

    Curcumin-sulfonamide hybrids (4a-e) were synthesized and their in vitro antioxidant, anti-inflammatory and anticancer activities were studied. The synthesized compounds showed a very good potent activity towards antioxidant and anti-inflammatory studies rather than its parent as well as standard. These compounds have exhibited an excellent toxicity effect to the cancer cell lines such as A549 and AGS. The compounds 4a and 4c have showed good anticancer activity than curcumin. The molecular docking studies were also performed against various Epidermal Growth Factor Receptor (EGFR) enzymes. The DFT calculations were also done in order to support the docking results.

  5. Attitudes of Dutch Pig Farmers Towards Tail Biting and Tail Docking

    OpenAIRE

    Bracke, M.B.M.; Lauwere, de, C.C.; Wind, S.M.M.; Zonderland, J.J.

    2013-01-01

    The Dutch policy objective of a fully sustainable livestock sector without mutilations by 2023 is not compatible with the routine practice of tail docking to minimize the risk of tail biting. To examine farmer attitudes towards docking, a telephone survey was conducted among 487 conventional and 33 organic Dutch pig farmers. “Biting” (of tails, ears, or limbs) was identified by the farmers as a main welfare problem in pig farming. About half of the farmers reported to have no tail biting prob...

  6. Acute peg in hole docking in the management of infected non-union of long bones

    OpenAIRE

    Dhar, Shabir Ahmed; Mir, Mohammed Ramzan; Ahmed, Molvi Sajjad; Afzal, Suhail; Butt, Mohammed Farooq; Badoo, A. R.; Dar, Irshad Tabasum; Hussain, Anwar

    2007-01-01

    The Ilizarov method has been studied extensively in the management of non-union of long bones. In most cases this involves filling of defects present primarily or after débridement by bone transport. Acute docking over gaps longer than 2 cm has not been adequately studied, however. The purpose of this paper is to report the efficacy of acute peg in hole docking as a bone graft-sparing modality in the management of infected non-union of long bones.

  7. Acute peg in hole docking in the management of infected non-union of long bones.

    Science.gov (United States)

    Dhar, Shabir Ahmed; Mir, Mohammed Ramzan; Ahmed, Molvi Sajjad; Afzal, Suhail; Butt, Mohammed Farooq; Badoo, A R; Dar, Irshad Tabasum; Hussain, Anwar

    2008-08-01

    The Ilizarov method has been studied extensively in the management of non-union of long bones. In most cases this involves filling of defects present primarily or after débridement by bone transport. Acute docking over gaps longer than 2 cm has not been adequately studied, however. The purpose of this paper is to report the efficacy of acute peg in hole docking as a bone graft-sparing modality in the management of infected non-union of long bones.

  8. Correlation of ICME Magnetic Fields at Radially Aligned Spacecraft

    Science.gov (United States)

    Good, S. W.; Forsyth, R. J.; Eastwood, J. P.; Möstl, C.

    2018-03-01

    The magnetic field structures of two interplanetary coronal mass ejections (ICMEs), each observed by a pair of spacecraft close to radial alignment, have been analysed. The ICMEs were observed in situ by MESSENGER and STEREO-B in November 2010 and November 2011, while the spacecraft were separated by more than 0.6 AU in heliocentric distance, less than 4° in heliographic longitude, and less than 7° in heliographic latitude. Both ICMEs took approximately two days to travel between the spacecraft. The ICME magnetic field profiles observed at MESSENGER have been mapped to the heliocentric distance of STEREO-B and compared directly to the profiles observed by STEREO-B. Figures that result from this mapping allow for easy qualitative assessment of similarity in the profiles. Macroscale features in the profiles that varied on timescales of one hour, and which corresponded to the underlying flux rope structure of the ICMEs, were well correlated in the solar east-west and north-south directed components, with Pearson's correlation coefficients of approximately 0.85 and 0.95, respectively; microscale features with timescales of one minute were uncorrelated. Overall correlation values in the profiles of one ICME were increased when an apparent change in the flux rope axis direction between the observing spacecraft was taken into account. The high degree of similarity seen in the magnetic field profiles may be interpreted in two ways. If the spacecraft sampled the same region of each ICME ( i.e. if the spacecraft angular separations are neglected), the similarity indicates that there was little evolution in the underlying structure of the sampled region during propagation. Alternatively, if the spacecraft observed different, nearby regions within the ICMEs, it indicates that there was spatial homogeneity across those different regions. The field structure similarity observed in these ICMEs points to the value of placing in situ space weather monitors well upstream of the

  9. HDOCK: a web server for protein-protein and protein-DNA/RNA docking based on a hybrid strategy.

    Science.gov (United States)

    Yan, Yumeng; Zhang, Di; Zhou, Pei; Li, Botong; Huang, Sheng-You

    2017-07-03

    Protein-protein and protein-DNA/RNA interactions play a fundamental role in a variety of biological processes. Determining the complex structures of these interactions is valuable, in which molecular docking has played an important role. To automatically make use of the binding information from the PDB in docking, here we have presented HDOCK, a novel web server of our hybrid docking algorithm of template-based modeling and free docking, in which cases with misleading templates can be rescued by the free docking protocol. The server supports protein-protein and protein-DNA/RNA docking and accepts both sequence and structure inputs for proteins. The docking process is fast and consumes about 10-20 min for a docking run. Tested on the cases with weakly homologous complexes of server. The HDOCK web server is available at http://hdock.phys.hust.edu.cn/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  10. A Steric-inhibition model for regulation of nucleotide exchange via the Dock180 family of GEFs.

    Science.gov (United States)

    Lu, Mingjian; Kinchen, Jason M; Rossman, Kent L; Grimsley, Cynthia; Hall, Matthew; Sondek, John; Hengartner, Michael O; Yajnik, Vijay; Ravichandran, Kodi S

    2005-02-22

    CDM (CED-5, Dock180, Myoblast city) family members have been recently identified as novel, evolutionarily conserved guanine nucleotide exchange factors (GEFs) for Rho-family GTPases . They regulate multiple processes, including embryonic development, cell migration, apoptotic-cell engulfment, tumor invasion, and HIV-1 infection, in diverse model systems . However, the mechanism(s) of regulation of CDM proteins has not been well understood. Here, our studies on the prototype member Dock180 reveal a steric-inhibition model for regulating the Dock180 family of GEFs. At basal state, the N-terminal SH3 domain of Dock180 binds to the distant catalytic Docker domain and negatively regulates the function of Dock180. Further studies revealed that the SH3:Docker interaction sterically blocks Rac access to the Docker domain. Interestingly, ELMO binding to the SH3 domain of Dock180 disrupted the SH3:Docker interaction, facilitated Rac access to the Docker domain, and contributed to the GEF activity of the Dock180/ELMO complex. Additional genetic rescue studies in C. elegans suggested that the regulation of the Docker-domain-mediated GEF activity by the SH3 domain and its adjoining region is evolutionarily conserved. This steric-inhibition model may be a general mechanism for regulating multiple SH3-domain-containing Dock180 family members and may have implications for a variety of biological processes.

  11. An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics.

    Science.gov (United States)

    Armen, Roger S; Chen, Jianhan; Brooks, Charles L

    2009-10-13

    Incorporating receptor flexibility into molecular docking should improve results for flexible proteins. However, the incorporation of explicit all-atom flexibility with molecular dynamics for the entire protein chain may also introduce significant error and "noise" that could decrease docking accuracy and deteriorate the ability of a scoring function to rank native-like poses. We address this apparent paradox by comparing the success of several flexible receptor models in cross-docking and multiple receptor ensemble docking for p38α mitogen-activated protein (MAP) kinase. Explicit all-atom receptor flexibility has been incorporated into a CHARMM-based molecular docking method (CDOCKER) using both molecular dynamics (MD) and torsion angle molecular dynamics (TAMD) for the refinement of predicted protein-ligand binding geometries. These flexible receptor models have been evaluated, and the accuracy and efficiency of TAMD sampling is directly compared to MD sampling. Several flexible receptor models are compared, encompassing flexible side chains, flexible loops, multiple flexible backbone segments, and treatment of the entire chain as flexible. We find that although including side chain and some backbone flexibility is required for improved docking accuracy as expected, docking accuracy also diminishes as additional and unnecessary receptor flexibility is included into the conformational search space. Ensemble docking results demonstrate that including protein flexibility leads to to improved agreement with binding data for 227 active compounds. This comparison also demonstrates that a flexible receptor model enriches high affinity compound identification without significantly increasing the number of false positives from low affinity compounds.

  12. Which is the most preventive measure against tail damage in finisher pigs: tail docking, straw provision or lowered stocking density?

    DEFF Research Database (Denmark)

    Larsen, Mona Lilian Vestbjerg; Andersen, Heidi Mai-Lis; Pedersen, Lene Juul

    2018-01-01

    One challenge of intensive pig production is tail damage caused by tail biting, and farmers often decrease the prevalence of tail damage through tail docking. However, tail docking is not an optimal preventive measure against tail damage and thus, it would be preferable to replace it. The aim of ...

  13. Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design.

    Science.gov (United States)

    Morency, Louis-Philippe; Gaudreault, Francis; Najmanovich, Rafael

    2018-01-01

    Docking simulations help us understand molecular interactions. Here we present a hands-on tutorial to utilize FlexAID (Flexible Artificial Intelligence Docking), an open source molecular docking software between ligands such as small molecules or peptides and macromolecules such as proteins and nucleic acids. The tutorial uses the NRGsuite PyMOL plugin graphical user interface to set up and visualize docking simulations in real time as well as detect and refine target cavities. The ease of use of FlexAID and the NRGsuite combined with its superior performance relative to widely used docking software provides nonexperts with an important tool to understand molecular interactions with direct applications in structure-based drug design and virtual high-throughput screening.

  14. Comprehension of Spacecraft Telemetry Using Hierarchical Specifications of Behavior

    Science.gov (United States)

    Havelund, Klaus; Joshi, Rajeev

    2014-01-01

    A key challenge in operating remote spacecraft is that ground operators must rely on the limited visibility available through spacecraft telemetry in order to assess spacecraft health and operational status. We describe a tool for processing spacecraft telemetry that allows ground operators to impose structure on received telemetry in order to achieve a better comprehension of system state. A key element of our approach is the design of a domain-specific language that allows operators to express models of expected system behavior using partial specifications. The language allows behavior specifications with data fields, similar to other recent runtime verification systems. What is notable about our approach is the ability to develop hierarchical specifications of behavior. The language is implemented as an internal DSL in the Scala programming language that synthesizes rules from patterns of specification behavior. The rules are automatically applied to received telemetry and the inferred behaviors are available to ground operators using a visualization interface that makes it easier to understand and track spacecraft state. We describe initial results from applying our tool to telemetry received from the Curiosity rover currently roving the surface of Mars, where the visualizations are being used to trend subsystem behaviors, in order to identify potential problems before they happen. However, the technology is completely general and can be applied to any system that generates telemetry such as event logs.

  15. A Shaftless Magnetically Levitated Multifunctional Spacecraft Flywheel Storage System

    Science.gov (United States)

    Stevens, Ken; Thornton, Richard; Clark, Tracy; Beaman, Bob G.; Dennehy, Neil; Day, John H. (Technical Monitor)

    2002-01-01

    Presently many types of spacecraft use a Spacecraft Attitude Control System (ACS) with momentum wheels for steering and electrochemical batteries to provide electrical power for the eclipse period of the spacecraft orbit. Future spacecraft will use Flywheels for combined use in ACS and Energy Storage. This can be done by using multiple wheels and varying the differential speed for ACS and varying the average speed for energy storage and recovery. Technology in these areas has improved since the 1990s so it is now feasible for flywheel systems to emerge from the laboratory for spacecraft use. This paper describes a new flywheel system that can be used for both ACS and energy storage. Some of the possible advantages of a flywheel system are: lower total mass and volume, higher efficiency, less thermal impact, improved satellite integration schedule and complexity, simplified satellite orbital operations, longer life with lower risk, less pointing jitter, and greater capability for high-rate slews. In short, they have the potential to enable new types of missions and provide lower cost. Two basic types of flywheel configurations are the Flywheel Energy Storage System (FESS) and the Integrated Power and Attitude Control System (IPACS).

  16. Telemetry Timing Analysis for Image Reconstruction of Kompsat Spacecraft

    Directory of Open Access Journals (Sweden)

    Jin-Ho Lee

    2000-06-01

    Full Text Available The KOMPSAT (KOrea Multi-Purpose SATellite has two optical imaging instruments called EOC (Electro-Optical Camera and OSMI (Ocean Scanning Multispectral Imager. The image data of these instruments are transmitted to ground station and restored correctly after post-processing with the telemetry data transferred from KOMPSAT spacecraft. The major timing information of the KOMPSAT is OBT (On-Board Time which is formatted by the on-board computer of the spacecraft, based on 1Hz sync. pulse coming from the GPS receiver involved. The OBT is transmitted to ground station with the house-keeping telemetry data of the spacecraft while it is distributed to the instruments via 1553B data bus for synchronization during imaging and formatting. The timing information contained in the spacecraft telemetry data would have direct relation to the image data of the instruments, which should be well explained to get a more accurate image. This paper addresses the timing analysis of the KOMPSAT spacecraft and instruments, including the gyro data timing analysis for the correct restoration of the EOC and OSMI image data at ground station.

  17. Low-Frequency Gravitational Wave Searches Using Spacecraft Doppler Tracking

    Directory of Open Access Journals (Sweden)

    Armstrong J. W.

    2006-01-01

    Full Text Available This paper discusses spacecraft Doppler tracking, the current-generation detector technology used in the low-frequency (~millihertz gravitational wave band. In the Doppler method the earth and a distant spacecraft act as free test masses with a ground-based precision Doppler tracking system continuously monitoring the earth-spacecraft relative dimensionless velocity $2 Delta v/c = Delta u/ u_0$, where $Delta u$ is the Doppler shift and $ u_0$ is the radio link carrier frequency. A gravitational wave having strain amplitude $h$ incident on the earth-spacecraft system causes perturbations of order $h$ in the time series of $Delta u/ u_0$. Unlike other detectors, the ~1-10 AU earth-spacecraft separation makes the detector large compared with millihertz-band gravitational wavelengths, and thus times-of-flight of signals and radio waves through the apparatus are important. A burst signal, for example, is time-resolved into a characteristic signature: three discrete events in the Doppler time series. I discuss here the principles of operation of this detector (emphasizing transfer functions of gravitational wave signals and the principal noises to the Doppler time series, some data analysis techniques, experiments to date, and illustrations of sensitivity and current detector performance. I conclude with a discussion of how gravitational wave sensitivity can be improved in the low-frequency band.

  18. LDEF materials results for spacecraft applications: Executive summary

    Science.gov (United States)

    Whitaker, A. F.; Dooling, D.

    1995-03-01

    To address the challenges of space environmental effects, NASA designed the Long Duration Exposure Facility (LDEF) for an 18-month mission to expose thousands of samples of candidate materials that might be used on a space station or other orbital spacecraft. LDEF was launched in April 1984 and was to have been returned to Earth in 1985. Changes in mission schedules postponed retrieval until January 1990, after 69 months in orbit. Analyses of the samples recovered from LDEF have provided spacecraft designers and managers with the most extensive data base on space materials phenomena. Many LDEF samples were greatly changed by extended space exposure. Among even the most radially altered samples, NASA and its science teams are finding a wealth of surprising conclusions and tantalizing clues about the effects of space on materials. Many were discussed at the first two LDEF results conferences and subsequent professional papers. The LDEF Materials Results for Spacecraft Applications Conference was convened in Huntsville to discuss implications for spacecraft design. Already, paint and thermal blanket selections for space station and other spacecraft have been affected by LDEF data. This volume synopsizes those results.

  19. Spacecraft control center automation using the generic inferential executor (GENIE)

    Science.gov (United States)

    Hartley, Jonathan; Luczak, Ed; Stump, Doug

    1996-01-01

    The increasing requirement to dramatically reduce the cost of mission operations led to increased emphasis on automation technology. The expert system technology used at the Goddard Space Flight Center (MD) is currently being applied to the automation of spacecraft control center activities. The generic inferential executor (GENIE) is a tool which allows pass automation applications to be constructed. The pass script templates constructed encode the tasks necessary to mimic flight operations team interactions with the spacecraft during a pass. These templates can be configured with data specific to a particular pass. Animated graphical displays illustrate the progress during the pass. The first GENIE application automates passes of the solar, anomalous and magnetospheric particle explorer (SAMPEX) spacecraft.

  20. Comparison of media for detection of fungi on spacecraft

    Science.gov (United States)

    Herring, C. M.; Brandsberg, J. W.; Oxborrow, G. S.; Puleo, J. R.

    1974-01-01

    Five media, including Trypticase soy agar (TSA; BBL) pour plates, spread plates of TSA, Mycophil agar with chloromycetin, Mycophil agar with chloromycetin and Actidione, and cornmeal agar with chloromycetin were quantitatively and qualitatively compared for the detection of fungi on spacecraft. Cornmeal agar with chloromycetin yielded the highest number of fungal colonies, although not always significantly higher than Mycophil agar with chloromycetin or TSA spread plates. Cornmeal agar with chloromycetin also gave the best qualitative representation of fungi on the spacecraft, recovering 68% of the genera found from all media. This medium yielded 10 times the number of fungal colonies and 3 times the number of genera found on TSA pour plates as currently used for spacecraft assay.