| Compound ID | EDJ-MED-0d144977-5 |
| ΔG / kcal M-1 | −11.4 ± 0.4 |
| pIC50 | 8.3 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN388 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-0d144977-5_1 |
|
−4.5 ± 0.4 |
|
|
|
|||
| RUN386 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-0d144977-5_1 |
|
−4.2 ± 0.3 |
|
|
|
|||
| RUN389 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-0d144977-5_1 |
|
−3.8 ± 0.4 |
|
|
|
|||
