How Well Can Simulation Predict Protein Folding Kinetics and Thermodynamics?

DOI Web Site 被引用文献2件
  • Christopher D. Snow
    1Biophysics Program, 2Department of Chemistry, Stanford University, Stanford, California 94305;, , ,
  • Eric J. Sorin
    1Biophysics Program, 2Department of Chemistry, Stanford University, Stanford, California 94305;, , ,
  • Young Min Rhee
    1Biophysics Program, 2Department of Chemistry, Stanford University, Stanford, California 94305;, , ,
  • Vijay S. Pande
    1Biophysics Program, 2Department of Chemistry, Stanford University, Stanford, California 94305;, , ,

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<jats:p> ▪ Abstract  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. </jats:p>

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