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Enhanced modeling via network theory: Adaptive sampling of Markov state models

Computer simulations can complement experiments by providing insight into molecular kinetics with atomic resolution. Unfortunately, even the most powerful supercomputers can only simulate small systems for short timescales, leaving modeling of most biologically relevant systems and timescales intrac...

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Detalhes bibliográficos
Main Authors: Bowman, Gregory R., Ensign, Daniel L., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3637129/
https://ncbi.nlm.nih.gov/pubmed/23626502
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