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

por Kumar, Prashant, Bojarowski, Sławomir A., Jarzembska, Katarzyna N., Domagała, Sławomir, Vanommeslaeghe, Kenno, MacKerell, Alexander D., Dominiak, Paulina M.
Publicado 2014