| Compound ID | VLA-UCB-50c39ae8-9_2 |
| ΔG / kcal M-1 | −12.8 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4459 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-9_2_1 |
|
−4.0 ± 0.4 |
|
|
||||