| Compound ID | MAK-UNK-3875bbc8-3 |
| ΔG / kcal M-1 | −5.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN108 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-3875bbc8-3_2 |
|
2.8 ± 0.2 |
|
|
||||