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Table 6 Energies (au) of the pentapeptide Glu-Asp-Phe-Val-Lys, relative and solvation energy

From: The Role of Salt Bridge Formation in Glucagon: An Experimental and Theoretical Study of Glucagon Analogs and Peptide Fragments of Glucagon

(kcal/mol)
  Energy (3-21G) ΔE(3-21G) Energy(6-31G*) ΔE(6-31G*) Solvation Energy
Cyclic −2112.56024 0.0 −2124.34392 0.0 −51.89
Extended −2112.54067 12.28 −2124.33707 4.30 −21.66