Microscopic pK _a analysis of Glu286 in cytochrome c oxidase (Rhodobacter sphaeroides): Toward a calibrated molecular model

Keyphrases

• Rhodobacter Sphaeroides 100%
• PK a 100%
• Molecular Model 100%
• Cytochrome c Oxidase 100%
• Protonation State 66%
• Quantum Mechanical 33%
• Water Molecule 33%
• Hydrophobic Cavity 33%
• Computational Protocol 33%
• Proton Transfer 16%
• Computational Framework 16%
• Pump Function 16%
• Membrane Protein 16%
• Mechanical Potential 16%
• Active Sites 16%
• Free Energy Simulation 16%
• Soluble Protein 16%
• Net Charge 16%
• Internal Consistency 16%
• Thermodynamic Integration 16%
• Systematic Error 16%
• Deprotonation 16%
• Large Set 16%
• Deprotonated 16%
• Proton Pumping 16%
• Microscopic Level 16%
• Bound Water 16%
• Bacteriorhodopsin 16%
• Microscopic Simulation 16%
• Pumping Process 16%
• PKa Values 16%
• Cu-B 16%
• Proton Leakage 16%
• T4 Lysozyme 16%
• Titratable Residue 16%
• Water-mediated 16%
• Proton Transfer Kinetics 16%

Biochemistry, Genetics and Molecular Biology

• Molecular Model 100%
• Protonation 100%
• Cytochrome C Oxidase 100%
• Rhodobacter Sphaeroides 100%
• Proton Transport 50%
• Active Site 25%
• Soluble Protein 25%
• Energy Transfer 25%
• Deprotonation 25%
• Membrane Protein 25%
• Proton Pump 25%
• Bacteriorhodopsin 25%
• Lysozyme 25%