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Docking score, the interface area, the contribution of the hydrogen bonds, global energy, and atomic contact residues energy of vaccine constructs in HLA and TLR4 molecules.
| Vaccine construct | Score | Area | HB-Contribution | Global energy | Atomic Contact residues energy (ACE) |
|---|---|---|---|---|---|
| MPXV-V1-TLR4 | 14006 | 1958.70 | -3.22 | -1.46 | 23.99 |
| MPXV-V2-TLR4 | 14690 | 1937.40 | -0.93 | -12.08 | 1.95 |
| MPXV-V3-TLR4 | 14844 | 1967.00 | -6.02 | -10.78 | 18.30 |
| MPXV-V4-TLR4 | 13984 | 1891.90 | -0.29 | 0.97 | 3.31 |
