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A fast-slow method to treat solute dynamics in explicit solvent.
Cong, Yalong; Li, Mengxin; Qi, Yifei; Zhang, John Z H.
Affiliation
  • Cong Y; Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University at Shanghai, 200062, China. John.zhang@nyu.edu.
  • Li M; Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University at Shanghai, 200062, China. John.zhang@nyu.edu.
  • Qi Y; Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University at Shanghai, 200062, China. John.zhang@nyu.edu.
  • Zhang JZH; Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University at Shanghai, 200062, China. John.zhang@nyu.edu.
Phys Chem Chem Phys ; 24(23): 14498-14510, 2022 Jun 15.
Article in En | MEDLINE | ID: mdl-35665790
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Molecular Dynamics Simulation Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2022 Type: Article Affiliation country: China
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Molecular Dynamics Simulation Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2022 Type: Article Affiliation country: China