AMOEBA+ Classical Potential for Modeling Molecular Interactions.
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DOI: 10.1021/acs.jctc.9b00261
Abstract: Classical potentials based on isotropic and additive atomic charges have been widely used to model molecules in computers for the past few decades. The crude approximations in the underlying physics are hindering both their accuracy… read more here.
Keywords: amoeba classical; molecular interactions; potential modeling; modeling molecular ... See more keywords