| Compound ID | MAK-UNK-8be7dca9-8 |
| ΔG / kcal M-1 | −6.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN105 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-8_1 |
|
0.9 ± 0.2 |
|
|
||||
| RUN132 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-8_2 |
|
3.7 ± 0.2 |
|
|
||||