TABLE 3.
The MM-GBSA binding energy of the binary complexes (CyPA:NS5A; MxB:NS5A) and ternary complex (CyPA:NS5A–MxB).
| Complex | Time (ps) | Average binding energy (kcal/mol) | Std error of the mean (kcal/mol) |
| CyPA:NS5A | 10,000 | -61.57 | 1.03 |
| MxB:NS5A | 10,000 | -105.33 | 1.99 |
| CyPA:NS5A–MxB | 10,000 | -44.14 | 1.37 |
CypA, cyclophilin A; NS5A, non-structural protein 5A; MxB, myxovirus resistance B.