Bartender: Martini 3 Bonded Terms via Quantum Mechanics-based Molecular Dynamics

Summary

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Authors: Gilberto P. Pereira; Riccardo Alessandri; Moisés Domínguez; Rocío Araya-Osorio; Linus Grünewald; Luís Borges-Araújo; Sangwook Wu; Siewert J. Marrink; Paulo C. T. Souza; Raul Mera-Adasme

Journal title: JCTC

Journal publisher: ACS

Published year: 2024

DOI identifier: 10.26434/chemrxiv-2024-62kh1-v2

ISSN: 1549-9626