| Compound ID | EDJ-MED-ede5c6cb-1 |
| ΔG / kcal M-1 | 5.4 ± 0.8 |
| pIC50 | −3.9 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1319 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ede5c6cb-1_1 |
|
9.1 ± 0.9 |
|
|
|
|||
| RUN1318 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ede5c6cb-1_1 |
|
14.9 ± 0.8 |
|
|
|
|||
