Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations

Keyphrases

• Molecular Dynamics Simulation 100%
• Proton Transfer Reaction 100%
• Ketosteroid Isomerase 100%
• Active Sites 62%
• Proton Transfer 50%
• Hydrogen Bonding Interaction 50%
• Conformational Change 37%
• Dienolates 37%
• Double mutant 25%
• Simulation-based 12%
• Hydrogen Bonds (H-bonds) 12%
• Free Energy 12%
• Kinetic Experiments 12%
• Electrostatic Interaction 12%
• Proper Orientation 12%
• Van Der Waals Interaction 12%
• Proton Donor 12%
• Catalytic Rate 12%
• Transfer Rate 12%
• Reduced Rate 12%
• Bond Model 12%
• Thermal Motion 12%
• Restricted Motion 12%
• Proton Acceptor 12%
• Hydrogen Bonding Pattern 12%
• Electrostatic Stabilization 12%
• Empirical Valence Bond 12%

Biochemistry, Genetics and Molecular Biology

• Dynamics 100%
• Proton Transport 100%
• Isomerase 100%
• Wild Type 50%
• Active Site 50%
• Conformational Change 30%
• Static Electricity 20%
• Motion 20%
• Hydrogen Bond 10%