| Compound ID | EDJ-MED-6b23330e-1 |
| ΔG / kcal M-1 | −10.1 ± 0.3 |
| pIC50 | 7.3 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1477 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-6b23330e-1_1 |
|
−1.9 ± 0.5 |
|
|
|
|||
| RUN1480 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-6b23330e-1_1 |
|
−1.0 ± 0.4 |
|
|
|
|||
| RUN1481 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-6b23330e-1_2 |
|
−0.9 ± 0.3 |
|
|
|
|||
| RUN1483 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-6b23330e-1_1 |
|
−0.3 ± 0.6 |
|
|
|
|||
