Keyphrases
Activated Dynamics
14%
Chemical System
14%
Condensed-phase Reactions
14%
Dividing Surface
14%
Donor-acceptor Distance
14%
Dynamic Simulation
14%
Escherichia Coli Dihydrofolate Reductase
14%
Force Model
14%
Free Energy Surface
14%
Histogram Features
14%
Hybrid Quantum
100%
Hydride Transfer
100%
Hydride Transfer Reactions
28%
Hypersurface
14%
Implementation Method
14%
Inner Sphere
28%
Interpretation of Quantum Mechanics
100%
Iterative Scheme
14%
Methylenetetrahydrofolate Reductase (MTHFR)
100%
Minimum Free Energy Path
28%
Molecular Mechanics Simulation
100%
Multidimensional Sampling
14%
Potential Energy Surface
14%
Potential of Mean Force
14%
Quantum Mechanics-molecular Mechanics
14%
Reaction Coordinate
100%
Rehybridization
14%
Semi-empirical Potentials
14%
String Method
14%
Transmission Coefficient
14%
Weighted Histogram
14%
Chemistry
Computer Simulation
50%
Condensed Phase
50%
Dihydrofolates
100%
Donor
50%
Gibbs Free Energy
100%
Molecular Mechanic
100%
Potential Energy Surface
50%
Quantum Mechanics
100%
Structure
50%
Surface Free Energy
50%
Transfer Reaction
100%
Engineering
Chemical System
50%
Computer Simulation
50%
Energy Engineering
100%
Energy Surface
50%
Great Importance
50%
Histogram
50%
Model System
50%
Molecular Mechanics
100%
Phase Reaction
50%
Potential Energy
50%
Reactant
50%
Surface Free Energy
50%
Transmission Coefficient
50%