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"
Authors/Creators
- 1. 1Center for Drug Discovery and Innovative Medicines (MedInUP), University of Porto, Porto, Portugal 2Department of Surgery and Cancer, Imperial College London, London W12 0NN, UK 3Apterna Ltd., London, UK
- 2. 4Associate Laboratory i4HB – Institute for Health and Bioeconomy, Faculty of Medicine, University of Porto, 4200-319 Porto, Portugal 5UCIBIO – Applied Molecular Biosciences Unit, BioSIM – Department of Biomedicine, Faculty of Medicine, University of Porto, 4200-319 Porto, Portugal
- 3. 2Department of Surgery and Cancer, Imperial College London, London W12 0NN, UK 3Apterna Ltd., London, UK
Description
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
Files
Files
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