| Compound ID | KAD-UNI-877d7bed-8 |
| ΔG / kcal M-1 | −10.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3737 | PET-UNK-29afea89-2_1 |
|
KAD-UNI-877d7bed-8_2 |
|
−4.0 ± 0.2 |
|
|
||||
| RUN3735 | PET-UNK-29afea89-2_1 |
|
KAD-UNI-877d7bed-8_1 |
|
−0.2 ± 0.1 |
|
|
||||