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"

Zenodo2023-07-07 更新2026-04-07 收录

计算结构生物学

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https://zenodo.org/record/8124189 数据链接链接失效反馈

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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

提供机构：

1Center for Drug Discovery and Innovative Medicines, University of Porto, Porto, Portugal 2Department of Surgery and Cancer, Imperial College London, London W12 0NN, UK 3Apterna Ltd., London, UK; 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; 2Department of Surgery and Cancer, Imperial College London, London W12 0NN, UK 3Apterna Ltd., London, UK

创建时间：

2023-07-07