Two-state reactivity, electromerism, tautomerism, and "surprise" isomers in the formation of compound II of the enzyme horseradish peroxidase from the principal species, compound I

Journal of the American Chemical Society

Volumn 128, Issue 25, 2006, Pages 8185-8198

  Derat, Etienne ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPLEXATION; COMPUTATIONAL METHODS; ISOMERS; REACTION KINETICS; WATER;

HEME ENZYMES; MISSING ISOMERS; MULTI-STATE REACTIVITY; QM/MM CALCULATIONS;

ENZYME KINETICS;

ENZYME; HORSERADISH PEROXIDASE; IRON; OXYGEN 18;

ARTICLE; ISOMERISM; MOLECULAR STABILITY; MOSSBAUER SPECTROSCOPY; REACTION ANALYSIS; SYNTHESIS;

COMPUTER SIMULATION; ELECTRONS; HORSERADISH PEROXIDASE; ISOMERISM; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SOFTWARE; SPECTROSCOPY, MOSSBAUER; STEREOISOMERISM; THERMODYNAMICS;

EID: 33745639661     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0600734     Document Type: Article

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