Structural and electronic properties of the active site of [ZnFe] SulE.

Moubarak, Samah; Rippers, Yvonne; Elghobashi-Meinhardt, Nadia; Mroginski, Maria Andrea

Moubarak, Samah; Rippers, Yvonne; Elghobashi-Meinhardt, Nadia; Mroginski, Maria Andrea.

Afiliação

Moubarak S; Technische Universität Berlin, Institut für Chemie, Berlin, Germany.
Rippers Y; Freie Universität Berlin, Fachbereich Physik, Berlin, Germany.
Elghobashi-Meinhardt N; Technische Universität Berlin, Institut für Chemie, Berlin, Germany.
Mroginski MA; Technische Universität Berlin, Institut für Chemie, Berlin, Germany.

Front Mol Biosci ; 9: 945415, 2022.

Article em En | MEDLINE | ID: mdl-36299296

Palavras-chave

computational modeling; density functional theory calculations; electronic properties; metalloenzyme active site; quantum mechanical/molecular mechanical (QM/MM) computations; structural biology; sulerythrin

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Front Mol Biosci Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Alemanha

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