| Compound ID | EN300-65839_3 |
| ΔG / kcal M-1 | −12.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1699 | MAT-POS-b3e365b9-1_1 |
|
EN300-65839_3_2 |
|
−3.7 ± 0.3 |
|
|
||||
| RUN2155 | MAT-POS-b3e365b9-1_1 |
|
EN300-65839_3_1 |
|
−2.8 ± 0.3 |
|
|
||||