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Salvador I. Drusin

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Theoretical and Computational Chemistry

ANI Neural Networks Meet Electrostatics: A ML/MM Implementation in Amber

Jonathan A. Semelak, Pickering Ignacio, Kate K. Huddleston, Justo Olmos, Juan S Grassano, Camila Clemente, Salvador I. Drusin, Marcelo Marti, Mariano C. Gonzalez Lebrero, Adrian E. Roitberg, Dario A. Estrin

Version 1 posted 03 October 2024

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