Quantum and classical simulations of orotidine monophosphate decarboxylase: Support for a direct decarboxylation mechanism

Biochemistry

Volumn 52, Issue 25, 2013, Pages 4382-4390

  Vardi Kilshtain, Alexandra ^a   Doron, Dvir ^a   Major, Dan Thomas ^a  

^a BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL SIMULATION; COMPARISON WITH EXPERIMENTS; DECARBOXYLATION REACTIONS; ENZYME-CATALYZED REACTIONS; KINETIC ISOTOPE EFFECTS; MECHANICS SIMULATIONS; PATH INTEGRAL METHOD; POTENTIALS OF MEAN FORCES;

CATALYSIS; EXPERIMENTS; ISOTOPES; QUANTUM THEORY;

CARBOXYLATION;

5 FLUORO OROTIDINE 5' MONOPHOSPHATE; LYSINE; OROTIDINE; OROTIDINE 5' PHOSPHATE; OROTIDINE 5' PHOSPHATE DECARBOXYLASE; UNCLASSIFIED DRUG; URIDINE PHOSPHATE;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL PARAMETERS; DECARBOXYLATION; ENZYME MECHANISM; KINETIC ISOTOPE EFFECT; METHANOTHERMOBACTER THERMAUTOTROPHICUS; MOLECULAR MECHANICS; MOLECULAR STABILITY; NONHUMAN; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DECARBOXYLATION; METHANOBACTERIUM; OROTIDINE-5'-PHOSPHATE DECARBOXYLASE; QUANTUM THEORY;

METHANOTHERMOBACTER THERMAUTOTROPHICUS;

EID: 84879511088     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi400190v     Document Type: Article

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