| Compound ID | VLA-UCB-05e51b3f-5 |
| ΔG / kcal M-1 | −6.6 ± 0.1 |
| pIC50 | 4.81 ± 0.09 |
| ΔG / kcal M-1 | −6.0 ± 0.1 |
| pIC50 | 4.4 ± 0.1 |
| IC50 / µM | 39.811 ± 39.811 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN8 | MAT-POS-c7726e07-5_1 |
|
VLA-UCB-05e51b3f-5_1 |
|
−0.1 ± 0.2 |
|
|
|
|||
