Rational choice of molecular dynamics simulation parameters through the use of the three-dimensional autocorrelation method: application to calmodulin flexibility study期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Rational choice of molecular dynamics simulation parameters through the use of the three-dimensional autocorrelation method: application to calmodulin flexibility study

Authors:	Yasri Abdelaziz; Chiche Laurent; Haiech Jacques; Grassy Gerard

Affiliation:	¹Syntem, Pare Scientifique Georges Besse F-30 000 Nimes ²Centre de Biochimie Structurale, UMR CNRS 9955, INSERM U414, Faculté de Pharmacie 15 Avenue Charles Flahault, F-34060 Montpellier Cedex ³Laboratoire de Chimie Bactérienne CNRS, BP 71, F-13277 Marseille Cedex 9, France

Abstract:

Keywords:	calmodulin/ conformational autocorrelation method/ conformation clustering/ molecular dynamics/ multivariate statistical analysis
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