| Compound ID | LUO-POS-868e8996-10 |
| ΔG / kcal M-1 | −8.9 ± 0.4 |
| pIC50 | 6.5 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1270 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-10_1 |
|
−0.3 ± 0.4 |
|
|
|
|||
| RUN1271 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-10_2 |
|
2.1 ± 0.5 |
|
|
|
|||
