| Compound ID | LUO-POS-868e8996-9 |
| ΔG / kcal M-1 | −6.8 ± 0.9 |
| pIC50 | 5.0 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1648 | MAT-POS-c7726e07-5_1 |
|
LUO-POS-868e8996-9_1 |
|
2.8 ± 0.9 |
|
|
|
|||
