Solute-solvent interactions between cyclodextrin and water: a molecular mechanical study
β Scribed by Wolfgang Linert; Peter Margl; Franz Renz
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 958 KB
- Volume
- 161
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
The character of the water-induced interaction between two non-polar solutes as a function of the solute-solvent attraction and the solute size is studied via a molecular dynamics simulation. The results are quantified in terms of the solvent-induced potential of mean association/disscciation, the e
Previous simulations of aqueous solutions of immobilized pairs of simple hydrophilic or hydrophobic model solutes have been extended to consider a mixed hydrophobic-hydrophilic pair. Results show that the replacement of a hydrophilic group with a hydrophobic group can induce relevant changes in the