| Compound ID | DAR-DIA-076fb6ea-10 |
| ΔG / kcal M-1 | −8.0 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN478 | ADA-UCB-6c2cb422-1_1 |
|
DAR-DIA-076fb6ea-10_2 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN475 | ADA-UCB-6c2cb422-1_1 |
|
DAR-DIA-076fb6ea-10_1 |
|
2.2 ± 0.2 |
|
|
||||