| Compound ID | VLA-UCB-05e51b3f-16 | 
| ΔG / kcal M-1 | −8.2 ± 0.3 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1026 | ADA-UCB-6c2cb422-1_1 |  | VLA-UCB-05e51b3f-16_1 |  | −0.1 ± 0.3 |   |   | ||||