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Cover Picture: 51V NMR Chemical Shifts Calculated from QM/MM Models of Vanadium Chloroperoxidase (Chem. Eur. J. 17/2007)

✍ Scribed by Mark P. Waller; Michael Bühl; K. R. Geethalakshmi; Dongqi Wang; Walter Thiel

Book ID
101837159
Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
417 KB
Volume
13
Category
Article
ISSN
0947-6539

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51V NMR Chemical Shifts Calculated from
51V NMR Chemical Shifts Calculated from QM/MM Models of Vanadium Chloroperoxidase
✍ Mark P. Waller; Michael Bühl; K. R. Geethalakshmi; Dongqi Wang; Walter Thiel 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 348 KB

## Abstract ^51^V NMR chemical shifts calculated from QM/MM‐optimized (QM=quantum mechanical; MM=molecular mechanical) models of vanadium‐dependent chloroperoxidase (VCPO) are presented. An extensive number of protonation states for the vanadium cofactor (active site of the protein) and a number of