| Compound ID | LUO-POS-b5068a05-1 |
| ΔG / kcal M-1 | −0.8 ± 0.3 |
| pIC50 | 0.6 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN911 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-b5068a05-1_2 |
|
7.9 ± 0.3 |
|
|
|
|||
| RUN904 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-b5068a05-1_1 |
|
10.3 ± 0.5 |
|
|
|
|||
