Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model

Author:

Zhao Shiji1ORCID,Wei Haixin1ORCID,Cieplak Piotr2ORCID,Duan Yong3ORCID,Luo Ray1ORCID

Affiliation:

1. Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California92697, United States

2. SBP Medical Discovery Institute, 10901 North Torrey Pines Road, La Jolla, California92037, United States

3. UC Davis Genome Center and Department of Biomedical Engineering, University of California, Davis, One Shields Avenue, Davis, California95616, United States

Funder

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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