Simple few-state models reveal hidden complexity in protein folding

Markov state models constructed from molecular dynamics simulations have recently shown success at modeling protein folding kinetics. Here we introduce two methods, flux PCCA+ (FPCCA+) and sliding constraint rate estimation (SCRE), that allow accurate rate models from protein folding simulations. We...

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Bibliografiske detaljer
Main Authors: Beauchamp, Kyle A., McGibbon, Robert, Lin, Yu-Shan, Pande, Vijay S.
Format: Artigo
Sprog:Inglês
Udgivet: National Academy of Sciences 2012
Fag:
Chemical Physics of Protein Folding Special Feature
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3497769/
https://ncbi.nlm.nih.gov/pubmed/22778442
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1201810109
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