A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers

Prashant Kumar, Slawomir A. Bojarowski, Katarzyna N. Jarzembska, Slawomir Domagala, Kenno Vanommeslaeghe, Alexander D., Jr. MacKerell, Paulina M. Dominiak

Research output: Contribution to journalArticle

18 Citations (Scopus)
Original languageEnglish
Pages (from-to)1652-1664
Number of pages13
JournalJournal of Chemical Theory and Computation
Issue number4
Publication statusPublished - Apr 2014

Cite this