<i>Ab-initio</i> study of pyrrole ring deformation in the indole group of 5-HT interacting with water molecules.

Odai, Kei; Sugimoto, Tohru; Ito, Etsuro

Ab-initio study of pyrrole ring deformation in the indole group of 5-HT interacting with water molecules.

Odai, Kei; Sugimoto, Tohru; Ito, Etsuro.

Afiliação

Odai K; School of Science and Engineering, Kokushikan University, Setagaya-ku, Tokyo 154-8515, Japan.
Sugimoto T; College of Science and Engineering, Kanto Gakuin University, Yokohama, Kanagawa 236-0037, Japan.
Ito E; Department of Biology, Waseda University, Shinjuku-ku, Tokyo 162-8480, Japan.

Biophys Physicobiol ; 16: 127-131, 2019.

Article em En | MEDLINE | ID: mdl-31608202

Palavras-chave

5-hydroxytryptamine; ab-initio calculation; optimization; self-consistent reaction field method

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article