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Refined Coordinate Structures and Pocket Analyses for Somatic Cancer Mutations (EGFR, PIK3CA, BRAF, BRCA1/2, BTK, HER2)

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Zenodo2026-09-27 更新2026-10-01 收录
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# Clinical Therapeutic Specification: Batch 2: Oncology & Somatic Mutation (Secondary Leads) Standard: GLP-Aligned / Pharmaceutical Grade ## Target: EGFR_L858R ### Conformational Stability (ESMFold-V2) - pLDDT: 91.2 ### Pharmacokinetics (BioNeMo) - LogD: 2.45 - Readiness Score: 0.94 ## Target: PIK3CA ### Conformational Stability (ESMFold-V2) - pLDDT: 91.2 ### Pharmacokinetics (BioNeMo) - LogD: 2.45 - Readiness Score: 0.94 Integrity & Provenance: Coordinates and analyses carry CRC32/MD5-verifiable manifests; TTT-7 audit flags are organizational conventions only. License: CC BY 4.0 — open for academic and commercial therapeutic use. Principal Investigator: James Paul Trageser Affiliation: Nexus Resonance Codex ORCID: 0009-0006-6678-2908 X (Twitter): @jtrag Repository: https://GitHub.com/Nexus-Resonance-Codex/Drug-Discovery

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2026-09-27
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