CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs.

Wang, Kye Won; Lee, Jumin; Zhang, Han; Suh, Donghyuk; Im, Wonpil

Wang, Kye Won; Lee, Jumin; Zhang, Han; Suh, Donghyuk; Im, Wonpil.

Afiliação

Wang KW; Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Lee J; Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Zhang H; Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Suh D; Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Im W; Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.

J Phys Chem B ; 126(38): 7354-7364, 2022 09 29.

Article em En | MEDLINE | ID: mdl-36117287

Assuntos

Simulação de Dinâmica Molecular; Proteínas; DNA; Ligantes; Polissacarídeos; RNA; Solventes

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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