| Compound ID | EN300-217107_1 |
| ΔG / kcal M-1 | −12.4 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2602 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_1_2 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN2483 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_1_4 |
|
−2.7 ± 0.2 |
|
|
||||
| RUN4589 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_1_3 |
|
−2.6 ± 0.3 |
|
|
||||