Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis

Keyphrases

• Nuclear Quantum Effects 100%
• Methylenetetrahydrofolate Reductase (MTHFR) 100%
• Enzyme Dynamics 100%
• Active Sites 66%
• Transmission Coefficient 66%
• Hydrogen Tunneling 66%
• Escherichia Coli 33%
• Donor-acceptor 33%
• Femtosecond 33%
• Protein Drug 33%
• Solvate 33%
• Experimental Values 33%
• Deuterium 33%
• Protein Engineering 33%
• Free Energy Profile 33%
• Deuterium Isotope Effect 33%
• Millisecond Interval 33%
• Drug Design 33%
• Classical Molecular Dynamics Simulations 33%
• Zero-point Energy 33%
• Quantum Approach 33%
• Engineering Design 33%
• Vibrational States 33%
• Activation Free Energy 33%
• Site Impact 33%
• Nonadiabatic Transition 33%
• Hydride Transfer Reactions 33%
• Energy Tunnel 33%

Chemistry

• Hydrogen 100%
• Dihydrofolates 100%
• Deuterium 66%
• Molecular Dynamics 33%
• Transfer Reaction 33%
• Donor 33%
• Kinetic Isotope Effect 33%
• Zero Point Energy 33%
• Vibrational State 33%
• Free Energy of Activation 33%
• Free Energy 33%

Biochemistry, Genetics and Molecular Biology

• Dynamics 100%
• Motion 100%
• Enzyme 100%
• Dihydrofolate Reductase 100%
• Active Site 40%
• Escherichia coli 20%
• Protein Engineering 20%
• Kinetic Isotope Effect 20%