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Hargis JC, Vankayala SL, White JK, Woodcock HL.Hargis JC, et al. Among authors: vankayala sl.J Chem Theory Comput. 2014 Feb 11;10(2):855-864. doi: 10.1021/ct400968v. Epub 2014 Jan 10.J Chem Theory Comput. 2014.PMID: 24803854Free PMC article.