| Compound ID | EN300-716207_1 | 
| ΔG / kcal M-1 | −8.7 ± 0.6 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN548 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-716207_1_1 | 
      
         | 
    0.9 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||