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Yu Q, Bowman JM.Yu Q, et al. Among authors: bowman jm.J Chem Theory Comput. 2024 May 28;20(10):4278-4287. doi: 10.1021/acs.jctc.4c00129. Epub 2024 May 8.J Chem Theory Comput. 2024.PMID: 38717309