Quantum mechanical/molecular mechanical study on the mechanisms of Compound I formation in the catalytic cycle of chloroperoxidase: An overview on heme enzymes

Journal of Physical Chemistry B

Volumn 112, Issue 31, 2008, Pages 9490-9500

  Chen, Hui ^a   Hirao, Hajime ^a   Derat, Etienne ^a,c   Schlichting, Ilme ^b   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b MAX PLANCK INSTITUTE FOR MEDICAL RESEARCH   (Germany)

^c UFR des Sciences Exactes et Naturelles   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS; ENZYMES; FOOD ADDITIVES; HYDROGEN; HYDROGEN PEROXIDE; MOLECULAR MECHANICS; NONMETALS; PORPHYRINS;

ACTIVE SPECIES; CATALYTIC CYCLING; CHLOROPEROXIDASE; COMPOUND I; HEME ENZYMES; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; SUBSTRATE COMPLEXES;

CHLORINE COMPOUNDS;

EID: 49649112644     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp803010f     Document Type: Article

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