Effect of hydrophobic groups on adsorption of arginine-based amino acids to solid surfaces in water

We calculate the free energies of adsorption between a solid wall and various arginine derivatives in water using molecular dynamics simulations. vary hydrophobic group size amino acids two ways hydrophilicity five ways. The energy decreases by increasing wall, regardless group. Amino with small groups are adsorbed on strongest hydrophilicity, but large is relatively small. benzene solvent increased wall; however, analogous to results solvent, it independent attribute these differences effect molecules localized wall. Thus, may modulate peptide surface peptide’s groups.