Quantum-Mechanical Molecular Dynamics Simulations on Secondary Proton Transfer in Bacteriorhodopsin Using Realistic Models.

Nakai, Hiromi; Takemura, Toshiaki; Ono, Junichi; Nishimura, Yoshifumi

Nakai, Hiromi; Takemura, Toshiaki; Ono, Junichi; Nishimura, Yoshifumi.

Afiliação

Nakai H; Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, Japan.
Takemura T; Waseda Research Institute for Science and Engineering (WISE), Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, Japan.
Ono J; Elements Strategy Initiative for Catalysts & Batteries (ESICB), Kyoto University, 1-30 Goryo-Ohara, Nishikyo-ku, Kyoto 615-8245, Japan.
Nishimura Y; Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, Japan.

J Phys Chem B ; 125(39): 10947-10963, 2021 10 07.

Article em En | MEDLINE | ID: mdl-34582194

Assuntos

Bacteriorodopsinas; Simulação de Dinâmica Molecular; Prótons; Água

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Bacteriorodopsinas Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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