Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors

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Authors: S. Wan, A. Bhati, D. Wright, I. Wall, A. Graves, D. Green, P. V. Coveney

Journal title: J. Chem. Inf. Model.

Journal publisher: ACS

Published year: 2022

DOI identifier: 10.1021/acs.jcim.2c00255

ISSN: 1549-960X