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A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers
Kumar, Prashant, Bojarowski, Sławomir A., Jarzembska, Katarzyna N., Domagała, Sławomir, Vanommeslaeghe, Kenno, MacKerell, Alexander D., Dominiak, Paulina M.Volume:
10
Langue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct4011129
Date:
April, 2014
Fichier:
PDF, 3.11 MB
english, 2014