QM/MM metadynamics study of the direct decarboxylation mechanism for orotidine-5′-monophosphate decarboxylase using two different QM regions: Acceleration too small to explain rate of enzyme catalysis

Journal of Physical Chemistry B

Volumn 111, Issue 43, 2007, Pages 12573-12581

  Stanton, Courtney L ^a   Kuo, I Feng W ^b   Mundy, Christopher J ^b,d   Laino, Teodoro ^c   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^c ETH ZURICH   (Switzerland)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLATION; CATALYSIS; COMPUTATIONAL METHODS; MOLECULAR MECHANICS; QUANTUM THEORY;

DECARBOXYLATION; ENZYME CATALYSIS; METADYNAMICS; MONOPHOSPHATE DECARBOXYLASE;

ENZYME KINETICS;

EID: 36048971666     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074858n     Document Type: Article

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