Transmission coefficient calculation for proton transfer in triosephosphate isomerase based on the reaction path potential method

Journal of Chemical Physics

Volumn 121, Issue 1, 2004, Pages 101-107

  Wang, Mingliang ^a   Lu, Zhenyu ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR MECHANICS METHODS; PROTON TRANSFER REACTIONS; REACTION PATH POTENTIAL METHOD; TRANSITION STATE THEORY;

CARRIER CONCENTRATION; CHEMICAL REACTIONS; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); DIFFUSION IN SOLIDS; ELECTROSTATICS; ENZYMES; HAMILTONIANS; POTENTIAL ENERGY; PROTONS; RATE CONSTANTS;

MOLECULAR DYNAMICS;

PROTON; TRIOSEPHOSPHATE ISOMERASE;

ALGORITHM; ARTICLE; BINDING SITE; CATALYSIS; CHEMISTRY; COMPUTER SIMULATION; KINETICS; METABOLISM; QUANTUM THEORY; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; KINETICS; MODELS, THEORETICAL; PROTONS; QUANTUM THEORY; THERMODYNAMICS; TRIOSE-PHOSPHATE ISOMERASE;

EID: 3142748331     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1757437     Document Type: Article

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