遇见数据集

Refined Coordinate Structures and Pocket Analyses for Neurodegenerative Disease Targets

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Zenodo2026-07-02 更新2026-08-01 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

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2026-07-02
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