Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data

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Authors: Qi G, Michail D. Vrettas, Biancaniello C, Sanz-Hernandez M, Cafolla CT, Morgan JWR, Wang Y, De Simone A, Wales DJ.

Journal title: Journal of Chemical Theory and Computations

Journal publisher: American Chemical Society

Published year: 2022

DOI identifier: 10.1021/acs.jctc.2c00657

ISSN: 1549-9618