Machine-Learned Molecular Surface and Its Application to Implicit Solvent Simulations.

Wei, Haixin; Zhao, Zekai; Luo, Ray

Wei, Haixin; Zhao, Zekai; Luo, Ray.

Afiliação

Wei H; Departments of Materials Science and Engineering, Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine, California 92697, United States.
Zhao Z; Departments of Materials Science and Engineering, Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine, California 92697, United States.
Luo R; Departments of Materials Science and Engineering, Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine, California 92697, United States.

J Chem Theory Comput ; 17(10): 6214-6224, 2021 Oct 12.

Article em En | MEDLINE | ID: mdl-34516109

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos

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