Promoting vibrations in human purine nucleoside phosphorylase. A molecular dynamics and hybrid quantum mechanical/molecular mechanical study

Medicine & Life Sciences

• Purine-Nucleoside Phosphorylase 82%
• Molecular Dynamics Simulation 59%
• Vibration 58%
• Oxygen 38%
• purine 30%
• Catalysis 16%
• Electrons 15%
• Protons 13%
• Catalytic Domain 12%
• Guanine Nucleotides 8%
• Static Electricity 7%
• Proteins 7%
• Isotopes 7%
• Phosphates 5%
• Acids 5%
• Kinetics 4%

Engineering & Materials Science

• Nucleosides 100%
• Molecular dynamics 59%
• Oxygen 42%
• Carrier concentration 18%
• Proteins 18%
• Catalysis 17%
• Protons 15%
• Phosphates 15%
• Substrates 14%
• Potential energy surfaces 11%
• Coulomb interactions 10%
• Isotopes 8%
• Computer simulation 7%
• Atoms 6%
• Electrons 6%
• Acids 6%

Chemical Compounds

• Purine Nucleoside 68%
• Molecular Dynamics 39%
• Purine 35%
• Dioxygen 25%
• Catalysis 17%
• Simulation 16%
• Electron Density 16%
• Phosphate 11%
• Proton 11%
• Guanosine 9%
• Kinetic Isotope Effect 9%
• pKa 9%
• Potential Energy Surface 8%
• Transition State 7%
• Electron Particle 4%
• Aqueous Solution 4%
• Solvent 4%
• Acid 3%