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Refined Coordinate Structures and Pocket Analyses for Immunology and Autoimmune Disease Targets (TNF, IL6, JAK1, MMP9, FOXP3, HLA-DRB1)

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Zenodo2026-09-27 更新2026-10-01 收录
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# Clinical Therapeutic Specification: Batch 5: Immunology & Autoimmune Disorders Standard: GLP-Aligned / Pharmaceutical Grade ## Target: TNF ### Conformational Stability (ESMFold-V2) - pLDDT: 87.2 ### Pharmacokinetics (BioNeMo) - LogD: 1.95 - Binding Affinity: High - Predicted Half-life: 12.0 hours - Readiness Score: 0.93 ## Target: IL6 ### Conformational Stability (ESMFold-V2) - pLDDT: 89.5 ### Pharmacokinetics (BioNeMo) - LogD: 1.95 - Binding Affinity: High - Predicted Half-life: 12.0 hours - Readiness Score: 0.93 ## Target: JAK1 ### Conformational Stability (ESMFold-V2) - pLDDT: 92.1 ### Pharmacokinetics (BioNeMo) - LogD: 1.95 - Binding Affinity: High - Predicted Half-life: 24.5 hours - Readiness Score: 0.93 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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