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These are molecular docking Files.
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创建时间:
2020-09-22
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BindingDB Entry 50018784: Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy.
Small molecule binding data for protein Aromatase, Uniprot P11511
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Docking scores and energy minimization of target proteins.
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
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Identification of key amino acid residues in the hTGR5–nomilin interaction and construction of its binding model
TGR5, a member of the G protein-coupled receptor (GPCR) family, is activated by bile acids. Because TGR5 promotes energy expenditure and improves glucose homeostasis, it is recognized as a key target
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Best docking scores among the different LeuRS domains.
Best docking scores among the different LeuRS domains.
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The docking parameters and scores of hub targets with their optimal ligands.
The docking parameters and scores of hub targets with their optimal ligands.
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