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"Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, ..."

Juan Pablo Arcon et al. (2017)

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DOI: 10.1021/ACS.JCIM.6B00678

access: closed

type: Journal Article

metadata version: 2020-10-26

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Juan Pablo Arcon, Lucas A. Defelipe, Carlos P. Modenutti, Elias D. López, Daniel Alvarez-Garcia, Xavier Barril, Adrian Gustavo Turjanski, Marcelo A. Marti:
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions. J. Chem. Inf. Model. 57(4): 846-863 (2017)

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