A QM/MM study of the racemization of vinylglycolate catalyzed by mandelate racemase enzyme

Chemistry

• Mandelate 67%
• Potential Energy Barrier 33%
• Catalysis 29%
• Hydrogen Bond 27%
• Energy Barrier 21%
• Proton Transfer 20%
• Mutation 19%
• Gibbs Free Energy 17%
• Proton 14%
• Simulation 14%

Engineering & Materials Science

• Enzymes 52%
• Protons 41%
• Energy barriers 34%
• Hydrogen bonds 31%
• Catalysis 30%
• Proton transfer 20%
• Substrates 16%
• Free energy 13%
• Potential energy 12%
• Stabilization 9%

Medicine & Life Sciences

• mandelate racemase 100%
• Protons 46%
• Hydrogen Bonding 27%
• Catalysis 27%
• Enzymes 25%
• Catalytic Domain 10%
• Theoretical Models 9%
• Kinetics 8%
• Mutation 6%