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

Chemical Compounds

• Acyl-CoA 90%
• Kinetic Isotope Effect 76%
• Reaction Path 74%
• Surface Reaction 72%
• Tunneling 47%
• Dideuterium 44%
• Simulation 43%
• Dimension 34%
• Molecular Dynamics 34%
• Force 31%
• Rate Constant 30%
• Transition State Theory 27%
• Kinetic Energy 26%
• Reaction Parameter 24%
• Statistical Ensemble 23%
• Potential Energy Surface 22%
• Valence 20%
• Hydride 19%
• Transition State 19%

Physics & Astronomy

• dehydrogenases 100%
• isotope effect 75%
• surface reactions 71%
• free energy 56%
• kinetics 41%
• atoms 35%
• baths 31%
• approximation 30%
• coefficients 18%
• coenzymes 18%
• molecular dynamics 16%
• boundary conditions 16%
• simulation 13%
• histograms 12%
• enzymes 12%
• hydrides 11%
• quantum mechanics 10%
• potential energy 9%
• sampling 9%
• kinetic energy 9%
• oxidation 8%
• valence 8%
• configurations 6%

Engineering & Materials Science

• Surface reactions 99%
• Isotopes 85%
• Free energy 83%
• Atoms 71%
• Rate constants 28%
• Molecular dynamics 26%
• Coenzymes 22%
• Potential energy surfaces 19%
• Molecular mechanics 18%
• Boundary conditions 17%
• Quantum theory 16%
• Hydrides 14%
• Enzymes 13%
• Kinetic energy 12%
• Butyryl-CoA Dehydrogenase 11%
• Oxidation 10%
• Sampling 8%