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. 2021 Jun 7;183:2248–2261. doi: 10.1016/j.ijbiomac.2021.06.017

Table 3.

The energies for the binding between EsA and S-protein.

Molecules vdW + Hbond+desolv energy (kcal/mol) Electrostatic energy (kcal/mol) Total binding energy (kcal/mol) The best docking energy (kcal/mol) Binding free energy (kcal/mol)
EsA −24.19 −5.485 −42.899 −13.1 −24.81