Unveiling Therapeutic Targets and Immunological Insights in Glioblastoma Through Analysis of Glioma-Associated Mesenchymal Stem Cells
收藏Zenodo2024-03-25 更新2026-04-07 收录
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https://zenodo.org/doi/10.5281/zenodo.10869007
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To analyze the binding affinities and interaction modes between the drug candidates and their targets, we employed the Autodock Vina software [21]. Molecular structures of the candidate drugs and targets of hub genes were retrieved from Pubchem (https://pubchem.ncbi.nlm.nih.gov/) and Protein Data Bank database (http://www.rcsb.org/), respectively. In the analysis of docking, the files for all proteins and molecules were converted to PDBQT format. Water molecules were removed and polar hydrogen atoms were added. The grid box was positioned at the center to encompass the protein domain, allowing for unrestricted movement of molecules.
提供机构：
Department of Neurosurgery, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430022, China
创建时间：
2024-03-25
