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Application of Molecular-Dynamics Based Markov State Models to Functional Proteins

[Image: see text] Owing to recent developments in computational algorithms and architectures, it is now computationally tractable to explore biologically relevant, equilibrium dynamics of realistically sized functional proteins using all-atom molecular dynamics simulations. Molecular dynamics simula...

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Detalles Bibliográficos
Autores principales:	Malmstrom, Robert D., Lee, Christopher T., Van Wart, Adam T., Amaro, Rommie E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4248791/ https://www.ncbi.nlm.nih.gov/pubmed/25473382 http://dx.doi.org/10.1021/ct5002363

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