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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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Autors principals: Pan, Albert C., Roux, Benoît
Format: Artigo
Idioma:Inglês
Publicat: American Institute of Physics 2008
Matèries:
Accés en línia: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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