| Compound ID | EDJ-MED-3707c4bc-1 |
| ΔG / kcal M-1 | −3.8 ± 0.7 |
| pIC50 | 2.8 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1375 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-3707c4bc-1_1 |
|
2.9 ± 0.9 |
|
|
|
|||
| RUN1373 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-3707c4bc-1_1 |
|
5.7 ± 0.7 |
|
|
|
|||
