| Compound ID | EN300-3451857_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 | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN955 | MAT-POS-8a69d52e-7_1 |
|
EN300-3451857_1_2 |
|
−1.5 ± 0.4 |
|
|
||||
| RUN331 | MAT-POS-8a69d52e-7_1 |
|
EN300-3451857_1_1 |
|
0.1 ± 0.4 |
|
|
||||