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Electronic Structure of Compound I in Human Isoforms of Cytochrome P450 from QM/MM Modeling

✍ Scribed by Bathelt, Christine M.; Zurek, Jolanta; Mulholland, Adrian J.; Harvey, Jeremy N.


Book ID
111888647
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
179 KB
Volume
127
Category
Article
ISSN
0002-7863

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QM/MM modeling of compound I active spec
✍ Jeremy N. Harvey; Christine M. Bathelt; Adrian J. Mulholland πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 362 KB

## 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