| Compound ID | VLA-UCB-1dbca3b4-15 |
| ΔG / kcal M-1 | −8.44 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 6.44432128203456 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN15 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-1dbca3b4-15_1 |
|
0.01 ± 0.02 |
|
|
||||