共 122 条
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.
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页码:43 / 69
页数:27
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