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ZENODO
Dataset . 2026
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2026
License: CC BY NC SA
Data sources: ZENODO
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY NC SA
Data sources: Datacite
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Structural Mapping of Amyloidogenic and Neurodegenerative Disease Targets -- Neuro Research Dataset v1.1

Authors: Trageser, James Paul;

Structural Mapping of Amyloidogenic and Neurodegenerative Disease Targets -- Neuro Research Dataset v1.1

Abstract

Dataset Title: Structural Mapping of Amyloidogenic and Neurodegenerative Disease Targets -- Neuro Research Dataset v1.1 Overview: Focuses on protein misfolding, nucleation, and aggregation pathways in ALS, Alzheimer's, and Parkinson's disease (e.g., HTT, SNCA, LRRK2, APOE4, APP, SOD1). Mapped coordinate structures show expanded ligand cavities to design small-molecule stabilizers that lock the monomeric state and prevent toxic oligomerization. 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

Keywords

Huntington's Disease, huntingtin, TDP-43, Parkinson's disease, alpha-synuclein, Alzheimer's Disease, aggregation inhibitors, neuroinflammation, protein aggregation, drug discovery, neuroscience, lattice collapse prevention, amyloid fibrils, aggregation blockers, nucleation inhibitors, mitochondrial dysfunction, oxidative stress, structural biology, neurodegenerative diseases, Huntingtin, tau, protein misfolding, neuroregeneration, FUS, Parkinson's Disease, neurology, Amyotrophic Lateral Sclerosis, dimer stabilization, neuroprotective agents, neurodegeneration, Huntington's disease, SOD1, Alzheimer's disease, amyloid-beta, neurodegenerative therapy, Amyloid Beta, prion protein, neuroprotection, intrinsically disordered proteins, ALS

EOSC Subjects

Twitter Data

  • BIP!
    Impact byBIP!
    citations
    The total number of citations received by all articles of the researcher of interest.
    40
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
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citations
The total number of citations received by all articles of the researcher of interest.
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
40
Average
Average
Average
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