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Population Based Reweighting of Scaled Molecular Dynamics

[Image: see text] Molecular dynamics simulation using enhanced sampling methods is one of the powerful computational tools used to explore protein conformations and free energy landscapes. Enhanced sampling methods often employ either an increase in temperature or a flattening of the potential energ...

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Main Authors: Sinko, William, Miao, Yinglong, de Oliveira, César Augusto F., McCammon, J. Andrew
Formáid: Artigo
Teanga:Inglês
Foilsithe: American Chemical Society 2013
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3808002/
https://ncbi.nlm.nih.gov/pubmed/23721224
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp401587e
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