Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study

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Authors: Shunzhou Wan, Agastya P. Bhati, Stefan J. Zasada, Ian Wall, Darren Green, Paul Bamborough, Peter V. Coveney

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/2

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 784-795

DOI identifier: 10.1021/acs.jctc.6b00794

ISSN: 1549-9618