How well can simulation predict protein folding kinetics and thermodynamics?

被引:199
作者
Snow, CD [1 ]
Sorin, EJ
Rhee, YM
Pande, VS
机构
[1] Stanford Univ, Biophys Program, Stanford, CA 94305 USA
[2] Stanford Univ, Dept Chem, Stanford, CA 94305 USA
来源
ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE | 2005年 / 34卷
关键词
folding rate; molecular dynamics; transition state ensemble; P(fold) reaction coordinate;
D O I
10.1146/annurev.biophys.34.040204.144447
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
Simulation of protein folding has come a long way in five years. Notably, new quantitative comparisons with experiments for small, rapidly folding proteins have become possible. As the only way to validate simulation methodology, this achievement marks a significant advance. Here, we detail these recent achievements and ask whether simulations have indeed rendered quantitative predictions in several areas, including protein folding kinetics, thermodynamics, and physics-based methods for structure prediction. We conclude by looking to the future of such comparisons between simulations and experiments.
引用
收藏
页码:43 / 69
页数:27
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