| Compound ID | EDJ-MED-5cd3920d-1 |
| ΔG / kcal M-1 | −4.8 ± 0.9 |
| pIC50 | 3.5 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2003 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-5cd3920d-1_1 |
|
−0.5 ± 0.9 |
|
|
|
|||
| RUN1997 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-5cd3920d-1_1 |
|
4.7 ± 0.9 |
|
|
|
|||
