| Compound ID | VLA-UCB-29506327-1 |
| ΔG / kcal M-1 | −10.45 ± 0.10 |
| pIC50 | 7.61 ± 0.07 |
| ΔG / kcal M-1 | −8.07 ± 0.01 |
| pIC50 | 5.879 ± 0.007 |
| IC50 / µM | 1.320 ± 1.320 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1037 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-29506327-1_1 |
|
−1.38 ± 0.09 |
|
|
|
|||
