| Compound ID | MAT-POS-ddfe83c6-1 |
| ΔG / kcal M-1 | 0.3 ± 0.7 |
| pIC50 | −0.2 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1459 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-ddfe83c6-1_1 |
|
9.4 ± 0.6 |
|
|
|
|||
| RUN1458 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-ddfe83c6-1_1 |
|
9.9 ± 0.7 |
|
|
|
|||
