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Free energy
Hydrogen bonds
Molecular dynamics
6
Molecular dynamics simulations
6
Free-energy difference
4
Isotopes
4
Quantum chemistry
4
Quantum electronics
4
Quantum fluctuation
4
Amino acids
2
Article
2
Bioinformatics
2
Carbohydrate Conformation
2
Characteristic time
2
Chemical bonds
2
Conformation
2
Conformations
2
Dangling bonds
2
Density functional theory
2
Divergent behaviors
2
Dynamical characteristics
2
Electron transitions
2
Exhaustive search
2
Experimental values
2
Free radical reactions
2
Free-energy calculations
2
Galactose
2
Geometrical differences
2
Hydration free energies
2
Isotope effect
2
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