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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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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Malmstrom, Robert D., Lee, Christopher T., Van Wart, Adam T., Amaro, Rommie E.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4248791/
https://ncbi.nlm.nih.gov/pubmed/25473382
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5002363
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