The performance of fine-grained and coarse-grained elastic network models and its dependence on various factors.

Science.gov (United States)

Na, Hyuntae; Song, Guang

2015-07-01

In a recent work we developed a method for deriving accurate simplified models that capture the essentials of conventional all-atom NMA and identified two best simplified models: ssNMA and eANM, both of which have a significantly higher correlation with NMA in mean square fluctuation calculations than existing elastic network models such as ANM and ANMr2, a variant of ANM that uses the inverse of the squared separation distances as spring constants. Here, we examine closely how the performance of these elastic network models depends on various factors, namely, the presence of hydrogen atoms in the model, the quality of input structures, and the effect of crystal packing. The study reveals the strengths and limitations of these models. Our results indicate that ssNMA and eANM are the best fine-grained elastic network models but their performance is sensitive to the quality of input structures. When the quality of input structures is poor, ANMr2 is a good alternative for computing mean-square fluctuations while ANM model is a good alternative for obtaining normal modes. © 2015 Wiley Periodicals, Inc.

A study on self concept and adjustment of auxiliary nursing and midwifery (revised) students in a selected school of nursing, Purulia, West Bengal.

Science.gov (United States)

Giri, Ruby; Mukhopadhyay, Asiah; Mallik, Sarmila; Sarkar, Sharmila; Debnath, Ashis; Patra, Paramita

2012-07-01

Nursing students are exposed to different types of stress, with which they have to make adjustments. Self concept Influences their capability of adjustment. The study was done to find out the levels of self concept in different dimensions and levels of adjustment in different spheres of the auxiliary nursing and midwifery (revised) [ANM(R)] students, to find out the association between their self concept and adjustment with different sociodemographic factors and to assess the correlation between self concept and adjustment of these students. An observational cross-sectional study was conducted on the ANM(R) students of School of Nursing, Purulia, West Bengal from October 2008 to January 2009 with sample size 50. Chi-square test was done to find out statistical association. Majority of students (64%) had self concept above average category (145-192). Considering levelsof adjustment, majority of the students (56%) fell in the above average category (5572). Mean score of adjustment was highest in the health dimension (9.96) and lowest in the area of education (6.88). No significant association was found between self concept and age, education and family income. The associations of marital status and type of family with self concept are statistically significant. No significant association was found between adjustment and sociodemographic characteristics. Positive correlation was found between self concept and adjustment (correlation co-efficient r = 0.6109). This study has various implications for nursing administration, nursing education, nursing practice and nursing research.