Influence of structural fluctuation on enzyme reaction energy barriers in combined quantum mechanical/molecular mechanical studies

Journal of Physical Chemistry B

Volumn 107, Issue 18, 2003, Pages 4459-4463

  Zhang, Yingkai ^a   Kua, Jeremy ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACYLATION; CALCULATIONS; CATALYSIS; COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; PROTEINS; QUANTUM THEORY;

ACETYLCHOLINESTERASE; ENZYME REACTION ENERGY BARRIERS; MOLECULAR DYNAMICS SIMULATION;

ENZYMES;

EID: 0038016725     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022525e     Document Type: Article

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