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Paper Details

Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model.
J Chem Theory Comput
7
2022
Hydrogen, glycine dipeptide, hydrogen, pGM, peptide
Author NameAffiliation
Piotr CieplakSBP Medical Discovery Institute
Piotr CieplakSBP Medical Discovery Institute
Yong DuanUniversity of California davis
Ray LuoUniversity of California irvine
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Release 1.2