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Journal of the American Chemical Society

Volumn 124, Issue 27, 2002, Pages 8142-8151

The elusive oxidant species of cytochrome P450 enzymes: Characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations

(7) Schöneboom, Jan C a Lin, Hai a Reuter, Nathalie a Thiel, Walter a Cohen, Shimrit b Ogliaro, François b Shaik, Sason b

a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG (Germany)

b HEBREW UNIVERSITY OF JERUSALEM (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME ENZYMES;

CATALYSIS; GROUND STATE; HYDROGEN BONDS; OXIDATION; QUANTUM THEORY; SOLUTIONS;

ENZYMES;

CYSTEINE; CYTOCHROME P450; LIGAND; OXIDIZING AGENT; PORPHYRIN DERIVATIVE; SULFUR DERIVATIVE;

ARTICLE; CATALYSIS; CRYSTAL STRUCTURE; ENERGY; ENZYME ACTIVITY; GEOMETRY; HYDROGEN BOND; OXIDATION; QUANTUM MECHANICS; X RAY DIFFRACTION;

CYTOCHROME P-450 ENZYME SYSTEM; MODELS, MOLECULAR; OXIDANTS; PROTEIN CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 0037055032 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja026279w Document Type: Article

Times cited : (272)

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