| Compound ID | EDJ-MED-ee81482e-4 |
| ΔG / kcal M-1 | 5.5 ± 1.0 |
| pIC50 | −4.0 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2072 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-4_1 |
|
13 ± 1 |
|
|
|
|||
| RUN2076 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-4_1 |
|
15.0 ± 1.0 |
|
|
|
|||
