Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks

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Authors: Axel Rudling, Adolfo Orro, Jens Carlsson

Journal title: Journal of Chemical Information and Modeling

Journal number: 58/2

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 350-361

DOI identifier: 10.1021/acs.jcim.7b00520

ISSN: 1549-9596