Solvent and protein effects on the vibrational frequency shift and energy relaxation of the azide ligand in carbonic anhydrase

Engineering & Materials Science

• Carbonic anhydrase 100%
• Vibrational spectra 86%
• Ligands 73%
• Relaxation 51%
• Enzymes 50%
• Proteins 50%
• Relaxation time 42%
• Ions 40%
• Water 29%
• Potential energy surfaces 18%
• Solvation 17%
• Quantum theory 16%
• Metals 14%
• Molecular dynamics 12%
• Zinc 11%
• Geometry 6%
• Computer simulation 6%
• Experiments 3%

Physics & Astronomy

• carbonic anhydrase 94%
• ligands 55%
• frequency shift 53%
• enzymes 46%
• proteins 43%
• water 31%
• relaxation time 25%
• blue shift 23%
• ions 20%
• metal bonding 17%
• oscillators 16%
• energy 16%
• interactions 13%
• molecular relaxation 12%
• solvation 12%
• quantum mechanics 10%
• aqueous solutions 10%
• solutes 9%
• zinc 9%
• potential energy 9%
• valence 8%
• molecular dynamics 7%
• geometry 6%
• metals 5%
• simulation 4%

Chemical Compounds

• Vibrational Frequency 53%
• Solvent Effect 52%
• Azide 50%
• Energy 25%
• Ligand 24%
• Protein 22%
• Blue 15%
• Vibrational Relaxation 14%
• Vibrational Energy 13%
• Ion 12%
• Quantum Mechanics 12%
• Triple Bond 12%
• Time 11%
• Zinc Ion 11%
• Polar Solvent 10%
• Potential Energy Surface 10%
• Valence 9%
• Solvation 9%
• Resonance 8%
• Molecular Dynamics 8%
• Simulation 6%
• Aqueous Solution 5%