Catalytic control in terpenoid cyclases: Multiscale modeling of thermodynamic, kinetic, and dynamic effects

Keyphrases

• Kinetic Effects 100%
• Thermodynamic Effect 100%
• Terpenoids 100%
• Thermodynamic Kinetics 100%
• Cyclase 100%
• Dynamic Effects 100%
• Multiscale Modeling 100%
• Catalytic Control 100%
• Terpene Synthase 100%
• Multiscale Simulation 100%
• Proton 50%
• Methyl 50%
• Methylene 50%
• Potential Energy Surface 50%
• Hydrides 50%
• Squalene 50%
• Bornyl Diphosphate Synthase 50%
• Carbocation Chemistry 50%
• Finesse 50%
• Terpene Biosynthesis 50%
• Terpenes 50%
• Hopene 50%
• Aristolochene 50%
• Computational Platform 50%
• Ring Formation 50%
• Binding Residues 50%
• Carbocations 50%
• Hydrogen Bonds (H-bonds) 50%

Chemistry

• Terpenoid 100%
• Carbocation 100%
• Chemistry 50%
• Potential Energy Surface 50%
• Squalene 50%
• Ring Formation 50%
• Hydrogen Bonding 50%
• Terpene 50%
• Aristolochene 50%

Biochemistry, Genetics and Molecular Biology

• Synthase 100%
• Cyclase 100%
• Enzyme 66%
• Surface Property 33%
• Active Site 33%
• Anabolism 33%
• Hydrogen Bond 33%
• Pyrophosphate 33%