Conformational substates modulate hydride transfer in dihydrofolate reductase

Journal of the American Chemical Society

Volumn 127, Issue 37, 2005, Pages 12997-13006

  Thorpe, Ian F ^a   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPUTER SIMULATION; CONFORMATIONS; FREE ENERGY; ION EXCHANGE; SUBSTRATES;

DIHYDROFOLATE REDUCTASE (DHFR); FREE ENERGY BARRIER; POTENTIAL MEAN FORCE (PMF);

ENZYMES;

DIHYDROFOLATE REDUCTASE; HYDRIDE; HYDROGEN; MUTANT PROTEIN; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; CALCULATION; CATALYST; CHEMICAL REACTION; CONFORMATIONAL TRANSITION; ENERGY; ENTROPY; ENZYME ACTIVITY; ENZYME CONFORMATION; ENZYME MECHANISM; INDUCED MUTATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PARAMETER; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STRUCTURE ANALYSIS; TRANSPORT KINETICS; VIBRATION; WILD TYPE;

CATALYSIS; HYDROGEN; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; PROTEIN CONFORMATION; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 25144458498     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja053558l     Document Type: Article

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