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Vuong VQ, Aradi B, Niklasson AMN, Cui Q, Irle S.Vuong VQ, et al. Among authors: irle s.J Chem Theory Comput. 2023 Nov 14;19(21):7592-7605. doi: 10.1021/acs.jctc.3c00778. Epub 2023 Oct 27.J Chem Theory Comput. 2023.PMID: 37890454Free PMC article.