| Compound ID | EN300-300217_1 |
| ΔG / kcal M-1 | −12.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1900 | MAT-POS-b3e365b9-1_1 |
|
EN300-300217_1_3 |
|
−3.2 ± 0.3 |
|
|
||||
| RUN2469 | MAT-POS-b3e365b9-1_1 |
|
EN300-300217_1_4 |
|
−2.5 ± 0.2 |
|
|
||||
| RUN3246 | MAT-POS-b3e365b9-1_1 |
|
EN300-300217_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN3410 | MAT-POS-b3e365b9-1_1 |
|
EN300-300217_1_2 |
|
−1.1 ± 0.3 |
|
|
||||