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Tc-43/VHL_NonProline_Binder_Designs_9GIO

VHL Non-Proline Binder Designs (9GIO) 279 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the VHL substrate-recognition pocket of the VHL–ElonginC–ElonginB (VCB) complex (PDB 9GIO), with the field's usual hydroxyproline anchor withheld during generation. Each molecule was constructed against this pocket rather than selected from a compound library — docking (AutoDock Vina) came afterwards, to place and score the generated molecules in… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/VHL_NonProline_Binder_Designs_9G

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads263 (as reported by Hugging Face)
Likes0
Created3 September 2026
Last updated at source16 September 2026
chemistrybiologydrug-discoverymolecular-dockingprotactargeted-protein-degradationvhlgenerative-designvon-Hippel-LindauVCBelongin-Belongin-CE3-ligaseE3-ubiquitin-ligaseligase-handleTPDdegradernon-prolinehydroxyprolineHIF-1alpha9GIOprotein-ligand-complexstructure-based-drug-designde-novo-design
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