| Compound ID | EDJ-MED-98c0a822-1 |
| ΔG / kcal M-1 | 3.2 ± 1.0 |
| pIC50 | −2.3 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1670 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-98c0a822-1_1 |
|
8.9 ± 0.9 |
|
|
|
|||
| RUN1669 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-98c0a822-1_1 |
|
12.8 ± 1.0 |
|
|
|
|||
