| Compound ID | MIC-UNK-c66144cb-2 |
| ΔG / kcal M-1 | −8.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN245 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-2_2 |
|
−1.6 ± 0.2 |
|
|
||||
| RUN247 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-2_1 |
|
3.6 ± 0.2 |
|
|
||||