Molecular dynamics simulations of protein dynamics and their relevance to drug discovery

被引：152

作者：

Salsbury, Freddie R., Jr. ^{[1
]}

机构：

[1] Wake Forest Univ, Dept Phys, Winston Salem, NC 27106 USA

来源：

CURRENT OPINION IN PHARMACOLOGY | 2010年 / 10卷 / 06期

关键词：

METALLO-BETA-LACTAMASE; CELL-DEATH; BACTEROIDES-FRAGILIS; MUTS HOMOLOGS; FORCE-FIELDS; BINDING; DNA; ALLOSTERY; APPROXIMATION; RECOGNITION;

D O I：

10.1016/j.coph.2010.09.016

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Molecular dynamics simulations have become increasingly useful in studying biological systems of biomedical interest, and not just in the study of model or toy systems In this article, the methods and principles of all-atom molecular dynamics will be elucidated with several examples provided of their utility to investigators interested on drug discovery

引用

页码：738 / 744

页数：7

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