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Protein folding pathways from replica exchange simulations and a kinetic network model

We present an approach to the study of protein folding that uses the combined power of replica exchange simulations and a network model for the kinetics. We carry out replica exchange simulations to generate a large (≈10(6)) set of states with an all-atom effective potential function and construct a...

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Библиографические подробности
Главные авторы: Andrec, Michael, Felts, Anthony K., Gallicchio, Emilio, Levy, Ronald M.
Формат: Artigo
Язык:Inglês
Опубликовано: National Academy of Sciences 2005
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC1100763/
https://ncbi.nlm.nih.gov/pubmed/15800044
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408970102
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