| Compound ID | MAK-UNK-3875bbc8-2 |
| ΔG / kcal M-1 | −8.7 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN77 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-3875bbc8-2_1 |
|
−1.2 ± 0.1 |
|
|
||||
| RUN110 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-3875bbc8-2_2 |
|
1.7 ± 0.2 |
|
|
||||