| Compound ID | EDJ-MED-7587a9ee-3 |
| ΔG / kcal M-1 | 3.3 ± 0.8 |
| pIC50 | −2.4 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1118 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-7587a9ee-3_1 |
|
11.8 ± 0.7 |
|
|
|
|||
| RUN1121 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-7587a9ee-3_1 |
|
13.2 ± 0.8 |
|
|
|
|||
