Comparison on Free Energy Contributions of Key Residues between an unmodified capsomere and an Ag-Cap in Different Solution Conditions.

a Hydrophobic interaction.b Electrostatic interaction.c ↑, ↓ and - represent enhancement, reduction, and no significant change, respectively. It should be noted that the enhancement or reduction is for the molecular interaction rather than the algebraic value of the binding free energy. For example, the increase of algebraic value of binding free energy indicates the reduction of binding and thus marked by ↓, because higher algebraic value indicates less stable binding.Comparison on Free Energy Contributions of Key Residues between an unmodified capsomere and an Ag-Cap in Different Solution Conditions.