Quantum-Mechanical Molecular Dynamics Simulations on Secondary Proton Transfer in Bacteriorhodopsin Using Realistic Models

Engineering & Materials Science

• Proton transfer 100%
• Protons 65%
• Molecular dynamics 61%
• Computer simulation 29%
• X ray lasers 12%
• Free electron lasers 10%
• Atoms 7%
• Molecules 6%
• Chemical activation 6%
• Water 3%

Chemical Compounds

• Proton Transfer 49%
• Molecular Dynamics 40%
• Proton 35%
• Simulation 34%
• Free Electron 8%
• Diffusion 4%
• X-Ray 4%
• Environment 3%
• Molecule 2%

Physics & Astronomy

• molecular dynamics 39%
• protons 35%
• simulation 20%
• carboxylates 7%
• free electron lasers 5%
• functionals 5%
• activation 4%
• water 3%
• molecules 2%
• atoms 2%
• x rays 2%