Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including long-range effects

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Authors: T. Jaffrelot Inizan, T. Plé, O. Adjoua, P. Ren, H. Gökcan, O. Isayev, L. Lagardère, J.-P. Piquemal

Journal title: Chem. Sci.

Journal number: 14

Journal publisher: The Royal Society of Chemistry’s

Published year: 2023

Published pages: 5438-5452

DOI identifier: 10.1039/d2sc04815a

ISSN: 2041-6539