| Compound ID | EN300-80083_1 |
| ΔG / kcal M-1 | −9.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN803 | MAT-POS-8a69d52e-7_1 |
|
EN300-80083_1_2 |
|
−2.6 ± 0.3 |
|
|
||||
| RUN251 | MAT-POS-8a69d52e-7_1 |
|
EN300-80083_1_1 |
|
−1.4 ± 0.3 |
|
|
||||