| Compound ID | EDJ-MED-ee81482e-1 |
| ΔG / kcal M-1 | 2 ± 1 |
| pIC50 | −1.4 ± 0.8 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2034 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-1_1 |
|
4.8 ± 1.0 |
|
|
|
|||
| RUN2033 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-1_1 |
|
11 ± 1 |
|
|
|
|||
