| Compound ID | LUO-POS-9931618f-2 |
| ΔG / kcal M-1 | −7.3 ± 0.1 |
| pIC50 | 5.3 ± 0.1 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN118 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-9931618f-2_1 |
|
1.8 ± 0.1 |
|
|
|
|||
