| Compound ID | DAR-DIA-23e5a6a0-7 |
| ΔG / kcal M-1 | −13.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN189 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-23e5a6a0-7_2 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN173 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-23e5a6a0-7_1 |
|
2.4 ± 0.3 |
|
|
||||