Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model.
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DOI: 10.1021/acs.jctc.2c00710
Abstract: A key advantage of polarizable force fields is their ability to model the atomic polarization effects that play key roles in the atomic many-body interactions. In this work, we assessed the accuracy of the recently… read more here.
Keywords: many body; body interactions; force fields; pgm models ... See more keywords