| Compound ID | VLA-UCB-05e51b3f-15 | 
| ΔG / kcal M-1 | −8.7 ± 0.3 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN299 | ADA-UCB-6c2cb422-1_1 | 
      
         | 
    VLA-UCB-05e51b3f-15_1 | 
      
         | 
    −0.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||