Streamlining and Optimizing Strategies of Electrostatic Parameterization.

Zhu, Qiang; Wu, Yongxian; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray

Zhu, Qiang; Wu, Yongxian; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray.

Afiliação

Zhu Q; Department 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.
Wu Y; Department 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.
Zhao S; Nurix Therapeutics, Inc., 1700 Owens St, Suite 205, San Francisco, California 94158, United States.
Cieplak P; SBP Medical Discovery Institute, La Jolla, California 92037, United States.
Duan Y; UC Davis Genome Center and Department of Biomedical Engineering, University of California, Davis, Davis, California 95616, United States.
Luo R; Department 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 ; 19(18): 6353-6365, 2023 Sep 26.

Article em En | MEDLINE | ID: mdl-37676646

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2023 Tipo de documento: Article

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