{
  "abstract": "The free-energy landscape of a molecular system, which describes its free energy as a function of a few collective coordinates, governs its dynamics and function, but is challenging to determine experimentally. In molecular simulations, enhanced-sampling methods such as umbrella sampling use bias potentials to access regions of this landscape that are rarely visited by equilibrium fluctuations. Here, we transfer this concept to a single-molecule experiment: we combine electric-field biasing, in situ calibration of the bias potentials, and statistical reweighting to reconstruct the angular free-energy landscapes of rotary DNA nanomachines. The method resolves barriers exceeding 10 kBT and detects changes in local landscape shape caused by small modifications of the stator design. A systematic analysis of bias calibration, sampling, and finite-exposure averaging establishes the conditions required for accurate reconstruction. Experimental umbrella sampling thus relates nanoscale structure to the underlying free-energy landscape and supports the physics-informed design of artificial molecular machinery.",
  "abstract_shown": true,
  "affiliations": [
    "Technische Universitat Munchen"
  ],
  "article_type": "New results",
  "arxiv": null,
  "author_total": 5,
  "authors": [
    {
      "name": "L. J. K. Weiss"
    },
    {
      "name": "L. Daubner"
    },
    {
      "name": "N. Tedeschi"
    },
    {
      "name": "P. Sulc"
    },
    {
      "affs": [
        0
      ],
      "name": "F. C. Simmel"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/eb4ypb3s4sn2g.bib",
  "cited_by": 0,
  "doi": "10.64898/2026.10.15.758702",
  "fulltext_url": "https://www.biorxiv.org/content/10.64898/2026.10.15.758702v1.full",
  "id": "eb4ypb3s4sn2g",
  "issns": [],
  "landing_url": "https://www.biorxiv.org/content/10.64898/2026.10.15.758702v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "biorxiv",
      "biophysics"
    ],
    [
      "openalex",
      "3107|Force Microscopy Techniques and Applications"
    ]
  ],
  "openalex": "W7223070738",
  "pdf_url": "https://www.biorxiv.org/content/10.64898/2026.10.15.758702v1.full.pdf",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-15",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/eb4ypb3s4sn2g.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:28:42Z",
      "native_id": "10.64898/2026.10.15.758702",
      "source": "biorxiv",
      "url": "https://www.biorxiv.org/content/10.64898/2026.10.15.758702v1"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "biorxiv:biophysics",
      "subfield": "biophysics"
    }
  ],
  "title": "Experimental umbrella sampling of a rotary nanomachine",
  "title_text": "Experimental umbrella sampling of a rotary nanomachine",
  "type": "preprint",
  "updated_at": "2026-10-30T12:28:42Z",
  "url": "https://research.draconitic.com/paper/eb4ypb3s4sn2g",
  "venue": "bioRxiv",
  "versions": []
}