| Compound ID | LUO-POS-9931618f-1 |
| ΔG / kcal M-1 | −9.1 ± 0.1 |
| pIC50 | 6.66 ± 0.10 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN408 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-9931618f-1_1 |
|
−0.1 ± 0.1 |
|
|
|
|||
