| Compound ID | EN300-10334_1 |
| ΔG / kcal M-1 | −13.3 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4629 | MAT-POS-b3e365b9-1_1 |
|
EN300-10334_1_2 |
|
−4.2 ± 0.3 |
|
|
||||
| RUN7010 | MAT-POS-b3e365b9-1_1 |
|
EN300-10334_1_1 |
|
−1.8 ± 0.4 |
|
|
||||