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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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Опубликовано в: : | PLoS One |
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Главные авторы: | , , , |
Формат: | Artigo |
Язык: | Inglês |
Опубликовано: |
Public Library of Science
2016
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Предметы: | |
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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