Table 5 The calculated binding free energy components for the vaccine-TLR-3 complex using the MM-PBSA method
| Â | Van der Waals energy (kJ/mol) | Electrostatic energy (kJ/mol) | Polar solvation energy (kJ/mol) | SASA energy (kJ/mol) | Binding free energy (kJ/mol) |
|---|---|---|---|---|---|
Initial structures | -153.89 | -339.70 | 336.92 | -23.06 | -179.73 |
Stable structures | -166.73 | -409.67 | 341.53 | -24.61 | -259.48 |