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Dataset · Hugging Face

Tc-43/NRAS_CypA_Macrocycle_Glue_Designs_9BG0

NRAS–Cyclophilin A Macrocycle Glue Designs — the daraxonrasib pocket (PDB 9BG0) 140 de novo macrocyclic molecular-glue poses (137 unique structures) designed into the NRAS · cyclophilin A interface of PDB 9BG0, generated by the Technetium TC-43.ai agentic AI engine — a physics-based generative platform with reinforcement-learning-guided optimisation. Target selection and structural analysis by Claude Code. 9BG0 is the tri-complex of daraxonrasib (RMC-6236), NRAS WT and CypA.… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/NRAS_CypA_Macrocycle_Glue_Designs_9

Author / organizationTc-43
License (as declared)cc-by-4.0
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Created22 October 2026
Last updated at source23 October 2026
chemistrybiologydrug-discoverymolecular-glueprotein-protein-interactionmacrocyclesdockingRAScyclophilinmolecular-dockingprotein-ligand-complexde-novo-designgenerative-designstructure-based-drug-designsyntheticsynthetic-dataai-generatedcomputational-chemistrycheminformaticsSMILESNRASPPIAcyclophilin-Aoncology
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