Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes

Journal of Biological Inorganic Chemistry

Volumn 9, Issue 1, 2004, Pages 96-99

  Olsson, Mats H M ^a   Siegbahn, Per E M ^b   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

Enzyme catalysis; Hydrogen atom transfer reactions; Kinetic isotope effect; Lipoxygenase; Metalloenzymes; Nuclear quantum mechanical effects

Indexed keywords

HYDROGEN; ISOTOPE; LIPOXYGENASE; METALLOENZYME; METALLOPROTEIN; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; ENZYME MECHANISM; MICROSCOPY; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; SIMULATION; SOYBEAN; TEMPERATURE DEPENDENCE;

CATALYSIS; HYDROGEN; KINETICS; LIPOXYGENASE; MOLECULAR STRUCTURE; QUANTUM THEORY; TEMPERATURE;

GLYCINE MAX;

EID: 0842333898     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-003-0503-2     Document Type: Article

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