Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: Verification of methodology and analysis of reaction mechanisms

Journal of Physical Chemistry B

Volumn 106, Issue 7, 2002, Pages 1768-1798

  Cui, Qiang ^a   Karplus, Martin ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ENZYMES; HYDROGEN BONDS; PERMITTIVITY; PERTURBATION TECHNIQUES; POLARIZATION; QUANTUM THEORY; WATER;

QUANTUM MECHANICAL/MOLECULAR MECHANICAL (QM/MM) APPROACH;

REACTION KINETICS;

EID: 84961985262     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012659c     Document Type: Article

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