| Compound ID | EDG-MED-4c68219f-1 |
| ΔG / kcal M-1 | −9.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1640 | PET-UNK-29afea89-2_1 |
|
EDG-MED-4c68219f-1_4 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN1637 | PET-UNK-29afea89-2_1 |
|
EDG-MED-4c68219f-1_2 |
|
0.6 ± 0.5 |
|
|
||||
| RUN1635 | PET-UNK-29afea89-2_1 |
|
EDG-MED-4c68219f-1_1 |
|
0.7 ± 0.4 |
|
|
||||