| Compound ID | JAN-GHE-f375bf5b-1 |
| ΔG / kcal M-1 | −11.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN16 | PET-UNK-29afea89-2_1 |
|
JAN-GHE-f375bf5b-1_2 |
|
−5.4 ± 0.2 |
|
|
||||
| RUN14 | PET-UNK-29afea89-2_1 |
|
JAN-GHE-f375bf5b-1_1 |
|
0.1 ± 0.2 |
|
|
||||