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Building Markov state models along pathways to determine free energies and rates of transitions

An efficient method is proposed for building Markov models with discrete states able to accurately describe the slow relaxation of a complex system with two stable conformations. First, the reaction pathway described by a set of collective variables between the two stable states is determined using...

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Bibliografiske detaljer
Main Authors: Pan, Albert C., Roux, Benoît
Format: Artigo
Sprog:Inglês
Udgivet: American Institute of Physics 2008
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2674374/
https://ncbi.nlm.nih.gov/pubmed/18715051
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2959573
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