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Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction

Geometric and electronic structure changes in the copper (Cu) centers in bilirubin oxidase (BOD) upon a four-electron reduction were investigated by quantum mechanics/molecular mechanics (QM/MM) calculations. For the QM region, the unrestricted density functional theory (UDFT) method was adopted for...

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Detalles Bibliográficos
Autores principales:	Tokiwa, Takaki, Shoji, Mitsuo, Sladek, Vladimir, Shibata, Naoki, Higuchi, Yoshiki, Kataoka, Kunishige, Sakurai, Takeshi, Shigeta, Yasuteru, Misaizu, Fuminori
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6337666/ https://www.ncbi.nlm.nih.gov/pubmed/30587809 http://dx.doi.org/10.3390/molecules24010076

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