| Compound ID | MAK-UNK-8be7dca9-4 |
| ΔG / kcal M-1 | −9.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN100 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-4_1 |
|
−1.6 ± 0.1 |
|
|
||||
| RUN133 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-4_2 |
|
0.9 ± 0.2 |
|
|
||||