| Compound ID | MAK-UNK-8be7dca9-6 |
| ΔG / kcal M-1 | −12.03 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN42 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-6_1 |
|
−2.27 ± 0.09 |
|
|
||||