Table 6.

Binding free energies of MPXV vaccine docked with immune cell receptors.

Energy parameter	TLR-2-vaccine complex	TLR-4-vaccine complex	TLR-8-vaccine complex
MM-GBSA
VDWAALS	−211.52	−309.67	−325.00
EEL	−150.00	−105.33	−111.65
EGB	52.36	38.82	51.59
ESURF	−19.13	−21.21	−19.00
Delta G gas	−361.52	−415	−436.65
Delta G solv	33.23	17.61	32.59
Delta Total	−328.29	−397.39	−404.06