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Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

RepositoryUniversity of Queensland [UQ eSpace]
URLhttps://espace.library.uq.edu.au/view/UQ:323126
Author(s)Koziara, Katarzyna B.; Stroet, Martin; Malde, Alpeshkumar K.; Mark, Alan E.
Item typeArticle
JournalJournal of Computer-Aided Molecular Design, Print_ISSN:0920-654X, Online_ISSN:1573-4951
DOIhttps://doi.org/10.1007/s10822-014-9713-7

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