| Compound ID | EDJ-MED-f9b78f78-4 |
| ΔG / kcal M-1 | −5.2 ± 0.4 |
| pIC50 | 3.8 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN20 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-f9b78f78-4_1 |
|
1.5 ± 0.4 |
|
|
|
|||
| RUN24 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-f9b78f78-4_1 |
|
2.5 ± 0.4 |
|
|
|
|||
