Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets

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Authors: Joana Magalhães, Giannamaria Annunziato, Nina Franko, Marco Pieroni, Barbara Campanini, Agostino Bruno, Gabriele Costantino

Journal title: Journal of Chemical Information and Modeling

Journal number: 58/3

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 710-723

DOI identifier: 10.1021/acs.jcim.7b00733

ISSN: 1549-9596