Keyphrases
Correlated Motion
100%
Methylenetetrahydrofolate Reductase (MTHFR)
100%
Hydride Transfer
100%
Reaction Coordinate
75%
Hydrogen Bonds (H-bonds)
50%
Protein Drug
25%
Transition State
25%
Electrostatic Interaction
25%
Engineering Design
25%
Protein Engineering
25%
Molecular Dynamics Method
25%
Solvate
25%
Electrostatic Energy
25%
Conformational Change
25%
Nuclear Quantum Effects
25%
Enzyme Substrates
25%
Classical Molecular Dynamics
25%
Drug Design
25%
Free Energy Profile
25%
Enzyme Cofactor
25%
Hybrid Quantum-classical
25%
Electrostatic Contribution
25%
Hydride Transfer Reactions
25%
Chemistry
Hydrogen Bonding
100%
Dihydrofolates
100%
Cofactor
50%
Gibbs Free Energy
50%
Transition State
50%
Electrostatic Interaction
50%
Molecular Dynamics
50%
Energetics
50%
Transfer Reaction
50%