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
✦ LIBER ✦
Solute molecular dynamics in a mesoscale solvent
✍ Scribed by Malevanets, Anatoly; Kapral, Raymond
- Book ID
- 119964920
- Publisher
- American Institute of Physics
- Year
- 2000
- Tongue
- English
- Weight
- 522 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.481289
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