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Progress and challenges in the automated construction of Markov state models for full protein systems

Markov state models (MSMs) are a powerful tool for modeling both the thermodynamics and kinetics of molecular systems. In addition, they provide a rigorous means to combine information from multiple sources into a single model and to direct future simulations∕experiments to minimize uncertainties in...

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Detalles Bibliográficos
Main Authors: Bowman, Gregory R., Beauchamp, Kyle A., Boxer, George, Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado: American Institute of Physics 2009
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2766407/
https://ncbi.nlm.nih.gov/pubmed/19791846
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3216567
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