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MM/GBSA energy components of protein and peptide. A) GAEIQDGRFN. B) GETEQKRIRK. C) KRSQQEDDQE. D) QLNSQLFVGG. E) SSPSQSGDTQ. F) SSSVQIDPPL. Polar solvation energy (ΔGpolar) represents the electrostatic interaction between the solute and the continuum solvent. It mostly compensates favorable electrostatic interactions between peptide and protein (ΔEel). Values are given in kcal/mol.
