Mechanism of selective halogenation by SyrB2: A computational study

Journal of the American Chemical Society

Volumn 132, Issue 37, 2010, Pages 12887-12898

  Borowski, Tomasz ^a   Noack, Holger ^b   Radoń, Mariusz ^c   Zych, Konrad ^c   Siegbahn, Per E M ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

C-H BOND CLEAVAGE; CARBON RADICALS; CHLORINATION REACTIONS; CHLORO LIGANDS; COMPUTATIONAL STUDIES; COORDINATION SITES; ISOMER SHIFTS; KETOGLUTARATE; MICHAELIS COMPLEX; MODEL SUBSTRATES; MOLECULAR DOCKING; MOSSBAUER; QUADRUPOLES; REACTION MECHANISM; RELATIVE ENERGIES; SPIN STATE; SPLITTINGS;

CHLORINATION; ISOMERS; LIGANDS; MACROMOLECULES; QUANTUM CHEMISTRY; SPIN DYNAMICS; STEREOCHEMISTRY;

REACTION INTERMEDIATES;

CARBON; ENZYME; HALOGENASE; IRON; PROTEIN SYRB2; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CHLORINATION; ENERGY; HALOGENATION; HUMAN; MOLECULAR DOCKING; MOLECULAR MODEL; REACTION ANALYSIS; STEREOISOMERISM;

HALOGENATION; IRON; MODELS, MOLECULAR; OXIDOREDUCTASES; PROTEIN CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, MOSSBAUER; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 77956638724     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja101877a     Document Type: Article

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