Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects

Journal of Computational Chemistry

Volumn 24, Issue 2, 2003, Pages 177-190

  Garcia Viloca, Mireia ^a   Alhambra, Cristóbal ^a   Truhlar, Donald G ^a   Gao, Jiali ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Hydride transfer; QM MM methods; Quantum effects in enzyme catalysis; Tunneling; Xylose isomerase

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; CHARGE TRANSFER; COMPUTER SIMULATION; ELECTRON TUNNELING; FREE ENERGY; HYDRIDES; MOLECULAR DYNAMICS; PHASE TRANSITIONS; QUANTUM THEORY; VARIATIONAL TECHNIQUES;

ENSEMBLE AVERAGED VARIATIONAL TRANSITION STATE THEORY; HYDRIDE TRANSFER; KINETIC ISOTOPE EFFECTS; MOLECULAR MECHANICAL ENVIRONMENT; QUANTUM EFFECTS; XYLOSE ENZYMES;

ENZYMES;

ISOMERASE; MAGNESIUM; XYLOSE ISOMERASE;

ARTICLE; BINDING SITE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; KINETICS; METABOLISM; THEORETICAL MODEL;

ALDOSE-KETOSE ISOMERASES; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; KINETICS; MAGNESIUM; MODELS, THEORETICAL; MOLECULAR STRUCTURE;

EID: 0037472678     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10154     Document Type: Article

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