An electrostatic energy-based charge model for molecular dynamics simulation.

Wang, Xianwei; Yan, Jinhua; Zhang, Hang; Xu, Zhousu; Zhang, John Z H

Wang, Xianwei; Yan, Jinhua; Zhang, Hang; Xu, Zhousu; Zhang, John Z H.

Afiliação

Wang X; College of Science, Zhejiang University of Technology, Hangzhou, Zhejiang 310023, China.
Yan J; College of Science, Zhejiang University of Technology, Hangzhou, Zhejiang 310023, China.
Zhang H; College of Science, Zhejiang University of Technology, Hangzhou, Zhejiang 310023, China.
Xu Z; College of Science, Zhejiang University of Technology, Hangzhou, Zhejiang 310023, China.
Zhang JZH; Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China.

J Chem Phys ; 154(13): 134107, 2021 Apr 07.

Article em En | MEDLINE | ID: mdl-33832260

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Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2021 Tipo de documento: Article País de afiliação: China