| Compound ID | VLA-UNK-61877630-5 |
| ΔG / kcal M-1 | −1.3 ± 0.8 |
| pIC50 | 1.0 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1330 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-61877630-5_1 |
|
7.4 ± 0.7 |
|
|
|
|||
| RUN1331 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-61877630-5_1 |
|
8.2 ± 0.8 |
|
|
|
|||
