Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

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Authors: Rodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary, Paolo Carloni, Michele Parrinello

Journal title: Journal of the American Chemical Society

Journal number: 139/13

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 4780-4788

DOI identifier: 10.1021/jacs.6b12950

ISSN: 0002-7863