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• W2012176469 abstract "Numerically predicting rate constants of protein folding and other relevant biological events is still a significant challenge. We show that the combination of partial path transition interface sampling with the optimal interfaces and free-energy profiles provided by path collective variables makes the rate calculation for practical biological applications feasible and efficient. This methodology can reproduce the experimental rate constant of Trp-cage miniprotein folding with the same level of accuracy as transition path sampling at a fraction of the cost." @default.
• W2012176469 created "2016-06-24" @default.
• W2012176469 creator A5013343035 @default.
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• W2012176469 date "2013-03-08" @default.
• W2012176469 modified "2023-10-11" @default.
• W2012176469 title "Efficient Numerical Reconstruction of Protein Folding Kinetics with Partial Path Sampling and Pathlike Variables" @default.
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• W2012176469 doi "https://doi.org/10.1103/physrevlett.110.108106" @default.
• W2012176469 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23521305" @default.
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