| Compound ID | VLA-UNK-e334495f-1 |
| ΔG / kcal M-1 | 1.1 ± 0.9 |
| pIC50 | −0.8 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1704 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-e334495f-1_1 |
|
10.2 ± 0.9 |
|
|
|
|||
| RUN1707 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-e334495f-1_1 |
|
10.7 ± 0.9 |
|
|
|
|||
