Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand...

Journal of Chemical Information and Modeling 2017 / 04 Vol. 57; Iss. 4

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

Arcon, Juan Pablo, Defelipe, Lucas A., Modenutti, Carlos P., López, Elias D., Alvarez-Garcia, Daniel, Barril, Xavier, Turjanski, Adrián G., Martí, Marcelo A.
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Volume:
57
Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.6b00678
Date:
April, 2017
File:
PDF, 15.52 MB
english, 2017
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