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 |