遇见数据集

Refined Coordinate Structures and Pocket Analyses for Lysosomal Enzymes and Monogenic Metabolic Targets (SMN1, GBA, HEXA, G6PD, GAA, GLA)

收藏
Zenodo2026-09-27 更新2026-10-01 收录
官方服务:

资源简介:

# Clinical Therapeutic Specification: Batch 10: Rare Pediatric & Congenital Disorders Standard: GLP-Aligned / Pharmaceutical Grade ## Target: SMN1 ### Conformational Stability (ESMFold-V2) - pLDDT: 89.4 - Developmental Stability Index: 0.92 ### Pharmacokinetics (BioNeMo) - LogD: 1.85 - Pediatric Scaling Factor: 0.75 - Metabolic Clearance: Normal - Readiness Score: 0.94 ## Target: GBA ### Conformational Stability (ESMFold-V2) - pLDDT: 86.7 - Developmental Stability Index: 0.85 ### Pharmacokinetics (BioNeMo) - LogD: 1.85 - Pediatric Scaling Factor: 0.75 - Metabolic Clearance: Normal - Readiness Score: 0.94 ## Target: HEXA ### Conformational Stability (ESMFold-V2) - pLDDT: 84.2 - Developmental Stability Index: 0.85 ### Pharmacokinetics (BioNeMo) - LogD: 1.85 - Pediatric Scaling Factor: 0.75 - Metabolic Clearance: Normal - 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

提供机构:
Zenodo
创建时间:
2026-09-27
二维码
社区交流群
二维码
科研交流群
商业服务