Table 2. Binding free energies statistics for the TLR3-MEV and TLR8-MEV complexes.
Energy Components (Kcal/mol) | TLR3-MEV | TLR8-MEV |
---|---|---|
VDWAALS | -170.66 | -183.91 |
EEL | -321.93 | -297.77 |
EPB | 457.36 | 439.71 |
ENPOLAR | -22.44 | -24.12 |
ΔG gas | -492.59 | -481.68 |
ΔG solv | 434.92 | 415.59 |
ΔTOTAL | -57.67 | -66.09 |