| Compound ID | EN300-97300_2 |
| ΔG / kcal M-1 | −12.7 ± 0.7 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3067 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_2_2 |
|
−3.7 ± 0.7 |
|
|
||||
| RUN3882 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_2_1 |
|
−0.4 ± 0.2 |
|
|
||||