| Compound ID | VLA-UCB-05e51b3f-5 |
| ΔG / kcal M-1 | −9.08 ± 0.04 |
| pIC50 | 6.61 ± 0.03 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN504 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-05e51b3f-5_1 |
|
−0.01 ± 0.02 |
|
|
|
|||
