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Using generalized ensemble simulations and Markov state models to identify conformational states
Part of understanding a molecule’s conformational dynamics is mapping out the dominant metastable, or long lived, states that it occupies. Once identified, the rates for transitioning between these states may then be determined in order to create a complete model of the system’s conformational dynam...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2753735/ https://ncbi.nlm.nih.gov/pubmed/19410002 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.ymeth.2009.04.013 |
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