| Compound ID | EDJ-MED-8bb691af-1 |
| ΔG / kcal M-1 | −4.7 ± 0.1 |
| pIC50 | 3.4 ± 0.1 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1029 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-8bb691af-1_1 |
|
4.0 ± 0.2 |
|
|
|
|||
| RUN1031 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-8bb691af-1_2 |
|
4.3 ± 0.2 |
|
|
|
|||
| RUN1033 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-8bb691af-1_3 |
|
4.6 ± 0.2 |
|
|
|
|||
| RUN1035 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-8bb691af-1_4 |
|
5.7 ± 0.2 |
|
|
|
|||
