QM/MM modeling of compound I active spec
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Jeremy N. Harvey; Christine M. Bathelt; Adrian J. Mulholland
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Article
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2006
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John Wiley and Sons
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English
β 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