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Combined Quantum Mechanical/Molecular Mechanical Study on the Pentacoordinated Ferric and Ferrous Cytochrome P450 cam Complexes

✍ Scribed by Altun, Ahmet; Thiel, Walter


Book ID
126802416
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
249 KB
Volume
109
Category
Article
ISSN
0022-3654

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Common system setup for the entire catal
✍ Jingjing Zheng; Ahmet Altun; Walter Thiel πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 635 KB

## Abstract We describe a system setup that is applicable to all species in the catalytic cycle of cytochrome P450~cam~. The chosen procedure starts from the X‐ray coordinates of the ferrous dioxygen complex and follows a protocol that includes the careful assignment of protonation states, comparis