Substrate Oxidation in the Active Site of Xanthine Oxidase and Related Enzymes. A Model Density Functional Study

Gradient-corrected density functional calculations have been performed on a model for the reductive half-reaction of the molybdenum center of xanthine oxidase related enzymes, enabling a discussion of structural details of the Mo coordination sphere in various species involved in the reaction. On th...

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Veröffentlicht in:	Inorganic chemistry 1998-01, Vol.37 (2), p.176-180
Hauptverfasser:	Voityuk, Alexander A, Albert, Katrin, Romão, Maria J, Huber, Robert, Rösch, Notker
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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