Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects

Keyphrases

• Effect Mechanism 100%
• Mg2+ 100%
• Quantum Effects 100%
• Hydride Transfer 100%
• Xylose Isomerase 100%
• Quantum Mechanical 66%
• Xylose 66%
• Kinetic Isotope Effect 66%
• Activation Free Energy 66%
• Hydride Transfer Reactions 66%
• Proton Transfer 33%
• Molecular Dynamics 33%
• Proton Transfer Reaction 33%
• Deuteride 33%
• Tunneling 33%
• Molecular Dynamics Simulation 33%
• Canonical Variational Transition State Theory 33%
• Isomerization 33%
• Active Sites 33%
• Valence Bond 33%
• X-ray Data 33%
• Reaction Rate 33%
• Potential Energy Function 33%
• Rate-determining Step 33%
• Multidimensional Tunneling 33%
• Transmission Coefficient 33%
• Hydrides 33%
• Bond Distance 33%
• TIP3P 33%
• Vibrational Energy 33%
• Tunneling Effect 33%
• Ensemble Averaging 33%
• L Protein 33%
• Local Function 33%
• CHARMM22 33%
• Breathing Motion 33%
• 1,2-Hydride Shift 33%
• Whitlow 33%
• Mechanical Microenvironment 33%
• Activation Profile 33%
• Quantum Mechanical Tunneling 33%
• Quantum Mechanics/molecular Mechanics 33%
• Valence Bond Methods 33%
• Umbrella Sampling Simulation 33%

Chemistry

• Xylose 100%
• Transfer Reaction 66%
• Free Energy of Activation 66%
• Kinetic Isotope Effect 66%
• Statistical Ensemble 66%
• Biochemistry 33%
• Chemical Kinetics Characteristics 33%
• Proton Transfer 33%
• Molecular Dynamics 33%
• Transition State Theory 33%
• Isomerization 33%
• Vibrational Energy 33%
• Potential Energy Function 33%
• Valence Bond Methods 33%
• Deuteride 33%
• Xylulose 33%
• Molecular Dynamics Simulation 33%