Computational study of the citrate synthase catalyzed deprotonation of acetyl-coenzyme A and fluoroacetyl-coenzyme A: Demonstration of a layered quantum mechanical approach

Journal of Physical Chemistry B

Volumn 107, Issue 24, 2003, Pages 5986-5994

  Yang, Wei ^a   Drueckhammer, Dale G ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; COMPUTER SIMULATION; CONFORMATIONS; ENZYME KINETICS; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY;

ACETYL COENZYME A; CITRATE SYNTHASE; DEPROTONATION; FLUOROACETYL COENZYME A; LAYERED QUANTUM MECHANICAL APPROACH;

ENZYMES;

EID: 0037899651     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034717v     Document Type: Article

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