| Compound ID | MIC-UNK-c66144cb-3 |
| ΔG / kcal M-1 | −9.4 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1020 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-3_2 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1015 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-3_1 |
|
2.4 ± 0.2 |
|
|
||||