| Compound ID | VLA-UNK-61877630-10 |
| ΔG / kcal M-1 | −8.7 ± 0.9 |
| pIC50 | 6.3 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN759 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-61877630-10_1 |
|
−1.2 ± 1.0 |
|
|
|
|||
| RUN758 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-61877630-10_1 |
|
−1.1 ± 0.9 |
|
|
|
|||
