Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations

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Authors: Riccardo Capelli, Anna Bochicchio, GiovanniMaria Piccini, Rodrigo Casasnovas, Paolo Carloni, Michele Parrinello

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/5

Journal publisher: American Chemical Society

Published year: 2019

Published pages: 3354-3361

DOI identifier: 10.1021/acs.jctc.9b00118

ISSN: 1549-9618