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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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Détails bibliographiques
Auteurs principaux: Beauchamp, Kyle A., McGibbon, Robert, Lin, Yu-Shan, Pande, Vijay S.
Format: Artigo
Langue:Inglês
Publié: National Academy of Sciences 2012
Sujets:
Accès en ligne: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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