Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies

Journal of Chemical Physics

Volumn 137, Issue 14, 2012, Pages

  El Hendawy, Morad M ^a   Garate, José Antonio ^a,b   English, Niall J ^a   O'Reilly, Stephen ^a   Mooney, Damian A ^a,c  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

^b UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

^c Veolia Environnement Recherche et Innovation   (France)

Author keywords

[No Author keywords available]

Indexed keywords

5-BISPHOSPHATE; ACTIVATION BARRIERS; ACTIVE SITE; CATALYTIC PROCESS; MD SIMULATION; MOLECULAR MECHANICALS; OPTIMISATIONS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL STUDIES; QUANTUM MECHANICAL LEVELS; RUBISCO; SELF-DIFFUSION; UPTAKE MECHANISM;

CARBOXYLATION; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; OXYGENATION; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION RATES; THERMODYNAMICS;

CARBON DIOXIDE;

CARBON DIOXIDE; OXYGEN; RIBULOSEBISPHOSPHATE CARBOXYLASE;

ARTICLE; CHEMISTRY; DIFFUSION; ENZYME ACTIVE SITE; ENZYMOLOGY; KINETICS; METABOLISM; MOLECULAR DYNAMICS; QUANTUM THEORY; SPINACH; THERMODYNAMICS;

CARBON DIOXIDE; CATALYTIC DOMAIN; DIFFUSION; KINETICS; MOLECULAR DYNAMICS SIMULATION; OXYGEN; QUANTUM THEORY; RIBULOSE-BISPHOSPHATE CARBOXYLASE; SPINACIA OLERACEA; THERMODYNAMICS;

EID: 84867507147     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4757021     Document Type: Article

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