Catalytic mechanism of dihydrofolate reductase enzyme. A combined quantum-mechanical/molecular-mechanical characterization of transition state structure for the hydride transfer step

Journal of the American Chemical Society

Volumn 121, Issue 51, 1999, Pages 12140-12147

  Castillo, R ^a   Andres J ^a   Moliner, V ^a  

^a UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARTIC ACID; CATION; DIHYDROFOLATE REDUCTASE; HYDROGEN; PTERIDINE DERIVATIVE; WATER;

ARTICLE; CATALYSIS; COMPUTER PROGRAM; ENZYME ACTIVE SITE; ENZYME KINETICS; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE; GAS; MOLECULAR DYNAMICS; PHYSICAL PHASE; QUANTUM MECHANICS;

EID: 0033616094     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9843019     Document Type: Article

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