Supplements for "Understanding the interaction between a human transferrin receptor aptamer-short double stranded RNA conjugate and its cell membrane target by in silico methods"

Supplements for "Understanding the interaction between a human transferrin receptor aptamer-short double stranded RNA conjugate and its cell membrane target by in silico methods". 

This supplement includes the following files:

1. Structures of the most stable Protein-Aptamer complexes predicted from HADDOCK

Haddock_Cluster1.pdb      
Haddock_Cluster2.pdb 
Haddock_Cluster3.pdb 

2. Structure of the most stable conformation aligned with Protein-transferring complex PDB

cluster1_aligned.pdb      
transferrin_aligned.pdb 

3. MM-GBSA decomposition analysis of the three replicas for Protein-Aptamer

aptamer_new_rep01_Decomp.dat        
aptamer_new_rep02_Decomp.dat    
aptamer_new_rep03_Decomp.dat        

4. MM-GBSA decomposition analysis of the three replicas for Protein-Aptamer-Conjugate
conjugate_new_rep01_Decomp.dat    
conjugate_new_rep02_Decomp.dat      
conjugate_new_rep03_Decomp.dat