Epock: rapid analysis of protein pocket dynamics

Summary: The volume of an internal protein pocket is fundamental to ligand accessibility. Few programs that compute such volumes manage dynamic data from molecular dynamics (MD) simulations. Limited performance often prohibits analysis of large datasets. We present Epock, an efficient command-line t...

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Опубликовано в: :Bioinformatics
Главные авторы: Laurent, Benoist, Chavent, Matthieu, Cragnolini, Tristan, Dahl, Anna Caroline E., Pasquali, Samuela, Derreumaux, Philippe, Sansom, Mark S.P., Baaden, Marc
Формат: Artigo
Язык:Inglês
Опубликовано: Oxford University Press 2015
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Applications Notes
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4410650/
https://ncbi.nlm.nih.gov/pubmed/25505095
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btu822
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