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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2008
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| Assuntos: | |
| Acesso em linha: | 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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