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. 2022 Nov 9;13:933594. doi: 10.3389/fimmu.2022.933594

Table 9.

The binding free energy (kcal/mol) of the vaccine and receptor complex.

Energy components Binding free energies (kcal/mol)
Vaccine–MHC-I Vaccine–MHC-II Vaccine–TLR3 Vaccine–TLR4
Van der waals −157.07 −229.96 −138.50 −197.16
Electrostatic energy −3,064.98 −6,116.41 −2,898.84 −6,857.22
Solvation term 3,234.28 6,347.10 3,012.70 7,072.07
Non-polar solvation −21.00 −32.06 −18.45 −27.04
Total energy −8.65 −31.36 −43.10 −9.19