| Compound ID | MAK-UNK-8be7dca9-10 |
| ΔG / kcal M-1 | −6.2 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN151 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-10_3 |
|
1.0 ± 0.1 |
|
|
||||
| RUN101 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-10_1 |
|
3.2 ± 0.2 |
|
|
||||
| RUN28 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-10_2 |
|
6.3 ± 0.4 |
|
|
||||