A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemase

Keyphrases

• Amino 100%
• Quantum Mechanical 100%
• Reaction Mechanism 100%
• Acidity 100%
• Alanine Racemase 100%
• Mechanical Studies 100%
• Racemization 66%
• Pyridoxal 5′-phosphate 66%
• Amino Acids 33%
• Proton 33%
• Electron-withdrawing 33%
• Pyridine 33%
• Zwitterion 33%
• Abstraction Reaction 33%
• Kinetic Isotope Effect 33%
• Solvation Effect 33%
• Mechanical Simulation 33%
• Centroid 33%
• Path Integral Method 33%
• Intrinsic Kinetics 33%
• Transition State Stabilization 33%
• Stepwise Reaction 33%
• Pyridinium Ions 33%
• External Aldimine 33%
• Acidity Enhancement 33%
• Quinone Intermediates 33%
• Proton Abstraction 33%

Chemistry

• Alanine 100%
• acidity 100%
• Racemization 50%
• Cofactor 50%
• Pyridoxal 50%
• Solvation 25%
• Transition State 25%
• Kinetic Isotope Effect 25%
• Path Integral 25%
• Aldimine 25%
• Alanine Zwitterion 25%
• Multi-Step Reaction 25%
• Pyridinium Ion 25%
• formation 25%
• Amino Acid 25%

Biochemistry, Genetics and Molecular Biology

• Alanine Racemase 100%
• Racemization 66%
• Alanine 66%
• Pyridoxal Phosphate 66%
• Amino Acids 33%
• Kinetic Isotope Effect 33%
• Solvation 33%