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Adaptive biasing forces
2
Beta-cyclodextrin
2
Cyclodextrins
2
Encapsulation process
2
Essential features
2
Free energy
2
Hydrophobic tails
2
Hydrophobicity
2
Inclusion complex
2
Ionic Liquids
2
Ionic liquids
2
Minimum-energy structures
2
Molecular Conformation
2
Molecular Dynamics Simulation
2
Molecular dynamics
2
Stable structures
2
Thermodynamics
2
beta cyclodextrin
2
beta cyclodextrin derivative
2
beta-Cyclodextrins
2
chemistry
2
conformation
2
ionic liquid
2
molecular dynamics
2
thermodynamics
2
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