| Compound ID | MAT-POS-29385cc1-4 | 
| ΔG / kcal M-1 | −8.0 ± 0.2 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN796 | ADA-UCB-6c2cb422-1_1 | 
      
         | 
    MAT-POS-29385cc1-4_1 | 
      
         | 
    −0.1 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
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