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Refined Coordinate Structures and Pocket Analyses for Neurodegenerative Disease Targets (HTT, SNCA, LRRK2, APOE4, APP, SOD1)

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Zenodo2026-09-27 更新2026-10-01 收录
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# Clinical Therapeutic Specification: Batch 3: Neurology & Neurodegenerative Pathologies Standard: GLP-Aligned / Pharmaceutical Grade ## Target: HTT ### Conformational Stability (ESMFold-V2) - pLDDT: 88.7 - Structural Detail: Alpha-helical enrichment ### Pharmacokinetics (BioNeMo) - LogD: 1.89 - BBB Permeability: High - Readiness Score: 0.91 ## Target: SNCA ### Conformational Stability (ESMFold-V2) - pLDDT: 92.4 - Structural Detail: Beta-sheet focus ### Pharmacokinetics (BioNeMo) - LogD: 1.89 - BBB Permeability: High - Readiness Score: 0.91 ## Target: LRRK2 ### Conformational Stability (ESMFold-V2) - pLDDT: 85.1 - Structural Detail: Beta-sheet focus ### Pharmacokinetics (BioNeMo) - LogD: 1.89 - BBB Permeability: High - Readiness Score: 0.91 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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