| Compound ID | VLA-UNK-8e615992-1 |
| ΔG / kcal M-1 | −10.8 ± 0.6 |
| pIC50 | 7.9 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN280 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-8e615992-1_1 |
|
−3.7 ± 0.4 |
|
|
|
|||
| RUN279 | MAT-POS-c7726e07-5_1 |
|
VLA-UNK-8e615992-1_1 |
|
−3.1 ± 0.6 |
|
|
|
|||
