Molecular dynamics simulations

被引：556

作者：

Hansson, T ^{[1
]}

Oostenbrink, C ^{[1
]}

van Gunsteren, WF ^{[1
]}

机构：

[1] ETH Honggerberg, Swiss Fed Inst Technol, Phys Chem Lab, CH-8093 Zurich, Switzerland

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2002年 / 12卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(02)00308-1

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible. Simulations aid our understanding of biochemical processes and give a dynamic dimension to structural data; for example, the transformation of harmless prion protein into the disease-causing agent has been modeled.

引用

页码：190 / 196

页数：7

共 71 条

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