QM/MM study of mechanisms for compound I formation in the catalytic cycle of cytochrome P450cam

Journal of the American Chemical Society

Volumn 128, Issue 40, 2006, Pages 13204-13215

  Zheng, Jingjing ^a   Wang, Dongqi ^a   Thiel, Walter ^a   Shaik, Sason ^b  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC CYCLES; CYTOCHROME; QUANTUM MECHANICAL;

CATALYST ACTIVITY; COMPLEXATION; ELECTRON TRANSITIONS; HYDROGEN BONDS; PROTONS;

QUANTUM THEORY;

ASPARTIC ACID; CAMPHOR 5 MONOOXYGENASE; GLUTAMINE; HEME; OXYGEN; PROTON;

ARTICLE; CATALYSIS; CHEMICAL BOND; ELECTRON TRANSPORT; MOLECULAR MECHANICS; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS;

CAMPHOR 5-MONOOXYGENASE; CATALYSIS; HYDROGEN BONDING; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 33749520822     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja063439l     Document Type: Article

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