Modeling the Ligand Effect on the Structure of CYP 450 Within the Density Functional Theory.

Dutra, Matthew; McElhenney, Shannon; Manley, Olivia; Makris, Tom; Rassolov, Vitaly; Garashchuk, Sophya

Dutra, Matthew; McElhenney, Shannon; Manley, Olivia; Makris, Tom; Rassolov, Vitaly; Garashchuk, Sophya.

Afiliação

Dutra M; Department of Chemistry & Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.
McElhenney S; Department of Chemistry & Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.
Manley O; Department of Molecular & Structural Biochemistry, North Carolina State University, Raleigh, North Carolina 27607, United States.
Makris T; Department of Molecular & Structural Biochemistry, North Carolina State University, Raleigh, North Carolina 27607, United States.
Rassolov V; Department of Chemistry & Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.
Garashchuk S; Department of Chemistry & Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.

J Phys Chem A ; 126(18): 2818-2824, 2022 May 12.

Article em En | MEDLINE | ID: mdl-35500128

Assuntos

Heme; Ferro; Cisteína/química; Teoria da Densidade Funcional; Heme/química; Ferro/química; Ligantes

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Heme / Ferro Tipo de estudo: Prognostic_studies Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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