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Description of the top models of TLR4/bLf and NF-κB/bLf docking complexes as assessed by the ClusPro 2.0 method.
| Weighted score | Lowest energy | |
|---|---|---|
| ClusPro 2.0 model | TLR4 - bLf | NF-κB - bLf |
| Balanced (kcal/mol) | −1,210.1 | −911.1 |
| Electrostatic favored (kcal/mol) | −1,045.8 | −1072.3 |
| Hydrophobic favored (kcal/mol) | −998.8 | −956.0 |
| van de Waals + electrostatic (kcal/mol) | −333.2 | −264.1 |
| RMSD (Å) | 0.262 | 0.368 |
RMSD, root mean square deviation value.
