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Stability Framework Clinical Therapeutic Specification - Batch 7: Integrated Biophysical Stability Framework

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Zenodo2026-07-03 更新2026-05-26 收录
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Dataset Title: Stability Framework Clinical Therapeutic Specification - Batch 7: Integrated Biophysical Stability Framework Overview: Biophysical dataset containing refined coordinate structures, pocket analyses, and toxicology reports. Computational Methodology: Target structures are optimized using the NRC CASP-17 Pure Math Folding Engine. This pipeline applies C-alpha harmonic guide potential constraints ($k_{guide} = 0.5$) for comparative modeling (or $k_{guide} = 0.0$ for ab-initio modeling), followed by sidechain relaxation and pocket expansion simulations to identify allosteric and active cavities. All coordinates are audited using the Trageser Tensor Theorem (TTT-7) lattice-parity verification to eliminate steric clashes (minimum inter-atomic distance > 1.10 Å) and loop hallucinations. License: Distributed under Creative Commons Attribution 4.0 International (CC BY 4.0) to enable open, commercial, and academic therapeutic drug design. 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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Zenodo
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2026-05-04
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