| Compound ID | JAN-GHE-5a013bed-3 |
| ΔG / kcal M-1 | −6.90 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 5.063211684546805 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN57 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-5a013bed-3_1 |
|
1.7 ± 0.3 |
|
|
||||