Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243

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Authors: Flavio Costa, Riccardo Ocello, Carlo Guardiani, Alberto Giacomello, Matteo Masetti

Journal title: Journal of Chemical Information and Modeling

Journal number: 2023 Jul 28;63(15):4888-99

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.jcim.3c00596

ISSN: 0002-7863