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资源简介：
A mirror of the DUD-E binding dataset. Mirrored from https://dude.docking.org
应用场景：
创建时间：
2025-05-22
相关数据集
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The database contains molecular models saved in the Protein Data Bank .pdb and .sdf format, taking into account their optimal location after docking to the bitter taste receptor molecule TAS2R13Additi
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Docking score of identified phytochemical compounds and standard drug (acarbose) in the binding site of α-glucosidase (5NN8) computed via Autodock vina software.
Docking score of identified phytochemical compounds and standard drug (acarbose) in the binding site of α-glucosidase (5NN8) computed via Autodock vina software.
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LigUnity training data
Dataset OverviewThis dataset contains protein-ligand binding affinity data organized into training and validation sets, along with supporting files for sequence alignment and temporal splitting experi
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On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches
Human chemokine receptor CXCR3 (hCXCR3) antagonists have potential therapeutic applications as antivirus, antitumor, and anti-inflammatory agents. A novel virtual screening protocol, which combines ph
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