Table 4.
Details of docking complex TLR-4 with MEV.
Parameters | MEV-TLR4 |
---|---|
HADDOCK score | 84.2 ± 23.3 |
Cluster size | 15 |
RMSD from the overall lowest-energy structure | 0.7 ± 0.4 |
Van der Waals energy | −150.8 ± 8.6 |
Electrostatic energy | −538.7 ± 93.2 |
Desolation energy | −5.3 ± 2.2 |
Restraints violation energy | 3480.5 ± 117.1 |
Buried surface area | 5373.2 ± 389.3 |
Z-score | −2.1 |