| Compound ID | MAK-UNK-83e0a0b4-1 |
| ΔG / kcal M-1 | −15.5 ± 0.7 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN212 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-1_2 |
|
1.1 ± 0.8 |
|
|
||||
| RUN218 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-1_1 |
|
3.9 ± 0.7 |
|
|
||||