{
  "abstract": "Stimulator of interferon genes (STING) provides an informative model system for developing methods to extract and compare residue-pair fluctuation patterns from molecular dynamics (MD) trajectories. We combined a one-dimensional convolutional autoencoder trained on apo STING with temporal mean pooling, Mahalanobis-distance clustering, and residue-pair similarity networks to compare apo, ligand-bound, and SAVI-associated multi-mutant datasets using 25-dimensional latent descriptors. Networks constructed from clusters capturing state-dependent fluctuation patterns showed lid-dominated organization in the ligand-bound dataset and a1b1-enriched, structurally distributed relationships involving residue 281 in the multi-mutant dataset. These findings identify contrasting residue-pair fluctuation signatures in the analyzed trajectories and provide an interpretable framework for generating hypotheses about ligand-associated and mutation-associated dynamic allostery.",
  "abstract_shown": true,
  "affiliations": [
    "National Institute of Advanced Industrial Science and Technology"
  ],
  "article_type": "New results",
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Y. Tsuchiya"
    },
    {
      "name": "Y. Yonezawa"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/63vr0ykkef98s.bib",
  "cited_by": 0,
  "doi": "10.64898/2026.10.08.757787",
  "fulltext_url": "https://www.biorxiv.org/content/10.64898/2026.10.08.757787v1.full",
  "id": "63vr0ykkef98s",
  "issns": [],
  "landing_url": "https://www.biorxiv.org/content/10.64898/2026.10.08.757787v1",
  "language": null,
  "licence": "CC-BY-ND",
  "licence_label": "CC BY-ND",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "biorxiv",
      "biophysics"
    ],
    [
      "openalex",
      "1312|Protein Structure and Dynamics"
    ]
  ],
  "openalex": "W7221444662",
  "pdf_url": "https://www.biorxiv.org/content/10.64898/2026.10.08.757787v1.full.pdf",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/63vr0ykkef98s.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:27:11Z",
      "native_id": "10.64898/2026.10.08.757787",
      "source": "biorxiv",
      "url": "https://www.biorxiv.org/content/10.64898/2026.10.08.757787v1"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "biorxiv:biophysics",
      "subfield": "biophysics"
    }
  ],
  "title": "Latent-Space Residue-Pair Networks from Molecular Dynamics Distinguish Ligand-Activated and SAVI-Associated STING",
  "title_text": "Latent-Space Residue-Pair Networks from Molecular Dynamics Distinguish Ligand-Activated and SAVI-Associated STING",
  "type": "preprint",
  "updated_at": "2026-10-30T12:27:11Z",
  "url": "https://research.draconitic.com/paper/63vr0ykkef98s",
  "venue": "bioRxiv",
  "versions": []
}