Long timescale simulations

被引：104
作者：
Daggett, V [1 ]
机构：
[1] Univ Washington, Dept Med Chem, Seattle, WA 98195 USA
来源：
CURRENT OPINION IN STRUCTURAL BIOLOGY | 2000年 / 10卷 / 02期
关键词：
D O I：
10.1016/S0959-440X(00)00062-2
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：
Computers are becoming increasingly fast, making it possible to perform simulations of macromolecules on timescales that were previously inaccessible. Questions have arisen concerning how well we are keeping up with computer power and the state of the art with respect to long molecular dynamics simulations in solvent. More importantly however, simulations of macromolecules are performed to aid the understanding of biochemical phenomena. So, what are we learning from longer simulations and are they providing reliable insight into protein dynamics, conformational behavior and function?
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页码：160 / 164
页数：5
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