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Kamenik AS, Kahler U, Fuchs JE, Liedl KR.Kamenik AS, et al.J Chem Theory Comput. 2016 Aug 9;12(8):3449-55. doi: 10.1021/acs.jctc.6b00231. Epub 2016 Jul 11.J Chem Theory Comput. 2016.PMID: 27322931Free PMC article.