Solute-solute solvent-induced interaction: molecular dynamics simulation of a mixed model system in water

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. Resultsl show that the replacement of a hydrophilic group with a hydrophobic group can induce relevant changes in the solvent-induced forces acting on the solutes.