A Hybrid Bottom-Up and Data-Driven Machine Learning Approach for Accurate Coarse-Graining of Large Molecular Complexes

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Authors: Korbinian Liebl, Gregory A. Voth

Journal title: Journal of Chemical Theory and Computation

Journal number: 21

Journal publisher: American Chemical Society (ACS)

Published year: 2025

DOI identifier: 10.1021/ACS.JCTC.5C00063

ISSN: 1549-9618