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PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields.
Zhao, Shiji; Wei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray.
Affiliation
  • Zhao S; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California 92697, United States.
  • Wei H; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California 92697, United States.
  • Cieplak P; SBP Medical Discovery Institute, 10901 North Torrey Pines Road, La Jolla, California 92037, United States.
  • Duan Y; UC Davis Genome Center and Department of Biomedical Engineering, University of California, Davis, One Shields Avenue, Davis, California 95616, United States.
  • Luo R; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California 92697, United States.
J Chem Theory Comput ; 18(6): 3654-3670, 2022 Jun 14.
Article in En | MEDLINE | ID: mdl-35537209
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Static Electricity Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article
Fulltext
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PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Static Electricity Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article