| Compound ID | LUO-POS-868e8996-9 |
| ΔG / kcal M-1 | −10.0 ± 0.3 |
| pIC50 | 7.3 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN295 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-9_1 |
|
−1.3 ± 0.3 |
|
|
|
|||
| RUN293 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-9_2 |
|
0.5 ± 0.4 |
|
|
|
|||
