遇见数据集

EticaHub Labs computational protein-design dataset — Pancreatic Cancer — run 0755f8a6-1376-4c47-807a-2cf1fd3ac320

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Zenodo2026-10-25 更新2026-10-29 收录
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Computational dataset / research audit record, not a validated treatment. This individual run contains 6 archived candidates from 2 reported iterations. The pipeline-selected candidate is #4; its internal automated grade is weak. Proposed research question (not a demonstrated outcome): Engineer a bicyclic peptide scaffold bridging KRAS-G12V switch I (residues 30-38) and switch II (residues 60-76) pockets using orthogonal macrocyclization chemistries to achieve mutant-selective allosteric inhibition validated by cryo-EM and pancreatic organoid models. Evidence and limitations Computational predictions only. No experimental or clinical evidence is supplied. Scores, automated checks and resolved identifiers do not establish binding, novelty, efficacy, safety or medical benefit. The stored "verified" grade is an internal automated check, not peer review or independent scientific validation. Hypothesis, approach and success criteria below are proposed research, not experiments performed. Checkpoint versions, random seeds and complete tool inputs are not established by this archive export; exact rerun reproducibility is not claimed. Selected candidate #4 has 0 cysteines. Its recorded sequence cannot form an intramolecular cysteine disulfide bridge; the proposed disulfide-stapling objective is not demonstrated. The sequence alone also does not establish a non-canonical crosslink. Automated warn: Low-complexity regions: 7 window(s) of 12 aa below 1.8 bits Internal publication gate: verification grade is weak Internal publication gate: no PubMed citation resolved Internal publication gate: unresolved target symbols: PVV Files: evidence report, original JSON, all candidate sequences, provenance manifest, license and SHA-256 checksums. Available predicted coordinate exports are included and explicitly labelled; missing structures are not reconstructed. AI-assisted research generated by the EticaHub Labs autopilot. Deaven Mabry is credited as responsible project creator, with EticaHub Labs affiliation. Cited literature remains the work of its original authors; identifier resolution is not claim support.

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2026-10-25
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