CLUB-MARTINI: Selecting Favourable Interactions amongst Available Candidates, a Coarse-Grained Simulation Approach to Scoring Docking Decoys
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Title
CLUB-MARTINI: Selecting Favourable Interactions amongst Available Candidates, a Coarse-Grained Simulation Approach to Scoring Docking Decoys
Authors
Keywords
Crystal structure, Free energy, Biochemical simulations, Simulation and modeling, Molecular dynamics, Protein interactions, Protein structure prediction, Protein-protein interactions
Journal
PLoS One
Volume 11, Issue 5, Pages e0155251
Publisher
Public Library of Science (PLoS)
Online
2016-05-12
DOI
10.1371/journal.pone.0155251
References
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