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Structural Mapping and Coordinate Topologies of Osmotic Stress Response Proteins in Crop Plants

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Zenodo2026-07-03 更新2026-08-02 收录
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Dataset Title: Structural Mapping and Coordinate Topologies of Osmotic Stress Response Proteins in Crop Plants Overview: Focuses on osmotic and thermal stress response proteins in crop models (e.g., Arabidopsis thaliana). The dataset provides structural blueprints to optimize plant water transport and stress regulation, protecting crop yields under environmental stress. 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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2026-07-03
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