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Building Markov state models with solvent dynamics

BACKGROUND: Markov state models have been widely used to study conformational changes of biological macromolecules. These models are built from short timescale simulations and then propagated to extract long timescale dynamics. However, the solvent information in molecular simulations are often igno...

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Detalles Bibliográficos
Autores principales:	Gu, Chen, Chang, Huang-Wei, Maibaum, Lutz, Pande, Vijay S, Carlsson, Gunnar E, Guibas, Leonidas J
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2013
Materias:	Proceedings
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3549830/ https://www.ncbi.nlm.nih.gov/pubmed/23368418 http://dx.doi.org/10.1186/1471-2105-14-S2-S8

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