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Binding free energy predictions of the complexes.
| Complex | (kcal.mol−1)* |
| FOXO4FH-CR3 | -55.97 ±5.46 |
| FOXO4CR3-TP53DBD | -75.66 ± 7.65 |
| FOXO4FH-TP53 | -8.67 ± 6.00 |
| FOXO4DRI-CR3 | -106.90 ± 15.13 |
| FOXO4DRI-TP53 | -39.92 ± 15.20 |
| E1-CR3 | -157.40 ± 6.07 |
| ES2-CR3 | -201.33 ± 10.00 |
| ES2r1-CR3 | -163.46 ± 7.22 |
| ES2r2-CR3 | -155.00 ± 7.30 |
| ES1-CR3 | -149.10 ± 9.28 |
“Mean±SD” is given for 10 distinct complex conformers.
