Catalytic mechanism of aldose reductase studied by the combined potentials of quantum mechanics and molecular mechanics

Biophysical Chemistry

Volumn 70, Issue 3, 1998, Pages 203-216

  Lee, Yong S ^a   Hodoscek, Milan ^b,c   Brooks, Bernard R ^b   Kador, Peter F ^a  

^a NATIONAL EYE INSTITUTE   (United States)

^b NATIONAL INSTITUTES OF HEALTH   (United States)

^c NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Aldose reductase; Catalytic mechanism; Combined potentials; NADPH; Proton donor; QM MM

Indexed keywords

ALDEHYDE REDUCTASE; GLYCERALDEHYDE; GLYCEROL; HISTIDINE; PROTON; TYROSINE;

ARTICLE; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME MECHANISM; HUMAN; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; SITE DIRECTED MUTAGENESIS;

ALDEHYDE REDUCTASE; BINDING SITES; CATALYSIS; CHEMISTRY, PHYSICAL; ENERGY METABOLISM; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTONS; QUANTUM THEORY;

EID: 0032498827     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-4622(97)00115-4     Document Type: Article

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