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Spin coupling in compound I models of the peroxidases: Effect of axial coordination

✍ Scribed by Th Wolter; D Mandon; R Weiss; M Müther; A.X Trautwein; E Bill

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
78 KB
Volume
59
Category
Article
ISSN
0162-0134

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## Abstract QM/MM calculations provide a means for predicting the electronic structure of the metal center in metalloproteins. Two heme peroxidases, Cytochrome __c__ Peroxidase (CcP) and Ascorbate Peroxidase (APX), have a structurally very similar active site, yet have active intermediates with ver