Free energy surface, reaction paths, and kinetic isotope effect of short-chain acyl-CoA dehydrogenase

Journal of Physical Chemistry B

Volumn 107, Issue 35, 2003, Pages 9567-9578

  Poulsen, Tina D ^a   Garcia Viloca, Mireia ^a   Gao, Jiali ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; FREE ENERGY; ISOTOPES; QUANTUM THEORY; RATE CONSTANTS; SURFACE REACTIONS;

DEHYDROGENASE; EQUILIBRIUM SECONDARY ZONE APPROXIMATION; FREE ENERGY SURFACE; KINETIC ISOTOPE EFFECT; REACTION PATHS; STATIC-SECONDARY ZONE APPROXIMATION; UMBRELLA SAMPLING SIMULATIONS; VARIATIONAL TRANSITION STATE THEORY;

MOLECULAR DYNAMICS;

EID: 0141459794     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030107j     Document Type: Article

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