遇见数据集

Refined Coordinate Structures and Pocket Analyses for Hematology and Coagulation Targets (F8, F9, HBB)

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Zenodo2026-09-27 更新2026-10-01 收录
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# Clinical Therapeutic Specification: Batch 6: Hematology & Hemoglobinopathies Standard: GLP-Aligned / Pharmaceutical Grade ## Target: F8 ### Conformational Stability (ESMFold-V2) - pLDDT: 84.5 ### Pharmacokinetics (BioNeMo) - LogD: 1.45 - Plasma Stability: High - Immunogenicity Risk: 0.08 - Readiness Score: 0.9 ## Target: F9 ### Conformational Stability (ESMFold-V2) - pLDDT: 86.1 ### Pharmacokinetics (BioNeMo) - LogD: 1.45 - Plasma Stability: High - Immunogenicity Risk: 0.08 - Readiness Score: 0.9 ## Target: HBB ### Conformational Stability (ESMFold-V2) - pLDDT: 95.8 ### Pharmacokinetics (BioNeMo) - LogD: 1.45 - Plasma Stability: High - Immunogenicity Risk: 0.08 - Readiness Score: 0.9 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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