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CLUB-MARTINI: Selecting Favourable Interactions amongst Available Candidates, a Coarse-Grained Simulation Approach to Scoring Docking Decoys

Large-scale identification of native binding orientations is crucial for understanding the role of protein-protein interactions in their biological context. Measuring binding free energy is the method of choice to estimate binding strength and reveal the relevance of particular conformations in whic...

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Библиографические подробности
Опубликовано в: :PLoS One
Главные авторы: Hou, Qingzhen, Lensink, Marc F., Heringa, Jaap, Feenstra, K. Anton
Формат: Artigo
Язык:Inglês
Опубликовано: Public Library of Science 2016
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4864233/
https://ncbi.nlm.nih.gov/pubmed/27166787
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0155251
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