| Compound ID | MAK-UNK-3875bbc8-2 |
| ΔG / kcal M-1 | −11.97 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN49 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-3875bbc8-2_1 |
|
−2.21 ± 0.07 |
|
|
||||