| Compound ID | EDJ-MED-40e596c8-4 |
| ΔG / kcal M-1 | 0.3 ± 0.4 |
| pIC50 | −0.2 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1607 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-40e596c8-4_1 |
|
8.3 ± 0.6 |
|
|
|
|||
| RUN1603 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-40e596c8-4_1 |
|
9.8 ± 0.4 |
|
|
|
|||
