How does the cAMP-dependent protein kinase catalyze the phosphorylation reaction: An ab Initio QM/MM study

Biochemistry, Genetics and Molecular Biology

• Active Site 25%
• Adenosine Triphosphate 25%
• Conformation 25%
• Cyclic Adenosine Monophosphate 100%
• Dynamics 25%
• Enzyme Active Site 25%
• Protein Kinases 100%
• Static Electricity 25%
• Wild Type 25%

Chemistry

• ATP 33%
• Base 33%
• Catalysis 33%
• Density Functional Theory 33%
• Electrostatic Interaction 33%
• Energy Barrier 33%
• Molecular Dynamics 33%
• Phosphorylation 100%
• Transition State 33%

Keyphrases

• Catalytic Base 20%
• Glycine-rich Loop 20%
• Substrate Peptide 40%