Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

Published 2017 View Full Article

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Title
Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions
Authors
Keywords
-
Journal
Journal of Chemical Information and Modeling
Volume 57, Issue 4, Pages 846-863
Publisher
American Chemical Society (ACS)
Online
2017-03-21
DOI
10.1021/acs.jcim.6b00678

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