Temperature dependence of the kinetic isotope effects in thymidylate synthase. a theoretical study

Journal of the American Chemical Society

Volumn 133, Issue 17, 2011, Pages 6692-6702

  Kanaan, Natalia ^a   Ferrer, Silvia ^a   Martí, Sergio ^a   Garcia Viloca, Mireia ^b   Kohen, Amnon ^c   Moliner, Vicent ^a,d  

^a UNIVERSITAT JAUME I   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c E11 SSH   (United States)

^d LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER HEIGHTS; BATH TEMPERATURES; BOND-BREAKING; CATALYZED REACTIONS; CHEMICAL TRANSFORMATIONS; CONFIGURATIONAL SPACES; E. COLI; ENSEMBLE-AVERAGED; EXPERIMENTAL DATA; HYDRIDE TRANSFERS; KINETIC ISOTOPE EFFECTS; PHYSICAL NATURE; PROTEIN MOTION; RATE-LIMITING STEPS; REACTION COORDINATES; RELATIVE MOVEMENT; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE; THEORETICAL FRAMEWORK; THEORETICAL STUDY; THERMAL FLUCTUATIONS; THIOETHER BONDS; THYMIDYLATE SYNTHASE; TRANSFER REACTION; TRANSITION-STATE; VARIATIONAL TRANSITION-STATE THEORY;

AMINO ACIDS; CARRIER MOBILITY; CATALYSIS; ENZYMES; ESCHERICHIA COLI; ISOTOPES; METADATA; MOLECULAR MODELING; QUANTUM THEORY; TEMPERATURE DISTRIBUTION; TRITIUM;

REACTION KINETICS;

ARGININE; CYSTEINE; ISOTOPE; PANTOPRAZOLE; SULFIDE; THYMIDYLATE SYNTHASE; TRITIUM;

ARTICLE; CATALYSIS; CHEMICAL BOND; CONCEPTUAL FRAMEWORK; MOLECULAR MECHANICS; QUANTUM MECHANICS; SIMULATION; TEMPERATURE DEPENDENCE;

ESCHERICHIA COLI; ISOTOPES; KINETICS; MODELS, MOLECULAR; QUANTUM THEORY; TEMPERATURE; THERMODYNAMICS; THYMIDYLATE SYNTHASE;

EID: 79955424715     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1114369     Document Type: Article

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