| Compound ID | JIN-POS-6dc588a4-16 |
| ΔG / kcal M-1 | −10.85 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN641 | ADA-UCB-6c2cb422-1_1 |
|
JIN-POS-6dc588a4-16_1 |
|
−3.44 ± 0.10 |
|
|
||||