The 'push' effect of the thiolate ligand in cytochrome P450: A theoretical gauging

Journal of Inorganic Biochemistry

Volumn 91, Issue 4, 2002, Pages 554-567

  Ogliaro, François ^a   De Visser, Samuël P ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

DFT calculations; Heme enzymes; O2 activation; Proximal ligand; Redox

Indexed keywords

CYTOCHROME P450; FERRIC ION; FERROUS ION; HYDROGEN; LIGAND; PEROXIDE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL BOND; CHEMICAL PARAMETERS; DENSITY; ENERGY TRANSFER; ENZYME ANALYSIS; HYDROGEN BOND; OXIDATION REDUCTION REACTION; SCREENING; THEORY;

CYTOCHROME P-450 ENZYME SYSTEM; HYDROGEN PEROXIDE; KINETICS; LIGANDS; MODELS, THEORETICAL; OXYGEN; SUBSTRATE SPECIFICITY; SULFHYDRYL COMPOUNDS;

EID: 0037145069     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0162-0134(02)00437-3     Document Type: Article

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