| Compound ID | EDJ-MED-f9b78f78-4 |
| ΔG / kcal M-1 | 4.3 ± 0.6 |
| pIC50 | −3.1 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1105 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-f9b78f78-4_1 |
|
12.3 ± 0.7 |
|
|
|
|||
| RUN1109 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-f9b78f78-4_1 |
|
14.1 ± 0.6 |
|
|
|
|||
