AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1

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Authors: Dina El Ahdab, Louis Lagardère, Zeina Hobaika, Théo Jaffrelot Inizan, Frédéric Célerse, Nohad Gresh, Richard G. Maroun, Jean-Philip Piquemal

Journal title: Journal of Chemical Information and Modeling

Journal number: 65

Journal publisher: American Chemical Society

Published year: 2025

Published pages: 4488-4500

DOI identifier: 10.1021/acs.jcim.4c01680

ISSN: 1549-9596