| Compound ID | MAK-UNK-83e0a0b4-4 |
| ΔG / kcal M-1 | −15.6 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN211 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-4_1 |
|
3.3 ± 0.5 |
|
|
||||
| RUN202 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-4_2 |
|
3.8 ± 0.6 |
|
|
||||