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. 2020 Dec 22;15(12):e0244176. doi: 10.1371/journal.pone.0244176

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