Evidence map›Paper›PMID 39212001›Full record

ArticleeLife2024

MDverse, shedding light on the dark matter of molecular dynamics simulations.

Johanna K S Tiemann, Magdalena Szczuka, Lisa Bouarroudj, Mohamed Oussaren, Steven Garcia, Rebecca J Howard, Lucie Delemotte, Erik Lindahl, Marc Baaden, Kresten Lindorff-Larsen and 2 more

Abstract read
In one paragraph

Article in eLife, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.

0numbers the graph read from it
0cells of the map it votes in
20citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

20 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Review
  6. Review
  7. Article
  8. PEGASUS: Prediction of MD-derived protein flexibility from sequence.Protein science : a publication of the Protein Society · 2025
    Article
  9. Article
  10. A FAIR-Compliant Management Solution for Molecular Simulation Trajectories.Journal of chemical information and modeling · 2025
    Article
  11. Review
  12. Permeability Benchmarking: Guidelines for ComparingJournal of chemical information and modeling · 2025
    Review
  13. Review
  14. Article
  15. Article
  16. Multi-Journal of chemical theory and computation · 2024
    Article
  17. One bead per residue can describe all-atom protein structures.Structure (London, England : 1993) · 2024
    Article
  18. Review
  19. VIAMD: a Software for Visual Interactive Analysis of Molecular Dynamics.Journal of chemical information and modeling · 2023
    Article
  20. Review
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

12 authors.

Johanna K S TiemannLinderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark.
Magdalena SzczukaInstitut de Pharmacologie et Biologie Structurale, CNRS, Université de Toulouse, Toulouse, France.
Lisa BouarroudjUniversité Paris Cité, CNRS, Institut Jacques Monod, Paris, France.
Mohamed OussarenUniversité Paris Cité, CNRS, Institut Jacques Monod, Paris, France.
Steven GarciaIndependent researcher, Amsterdam, Netherlands.
Rebecca J HowardDepartment of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Stockholm, Sweden.ORCID https://orcid.org/0000-0003-2049-3378
Lucie DelemotteDepartment of applied physics, Science for Life Laboratory, KTH Royal Institute of Technology, Stockholm, Sweden.
Erik LindahlDepartment of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Stockholm, Sweden.ORCID https://orcid.org/0000-0002-2734-2794
Marc BaadenLaboratoire de Biochimie Théorique, CNRS, Université Paris Cité, Paris, France.ORCID https://orcid.org/0000-0001-6472-0486
Kresten Lindorff-LarsenLinderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark.ORCID https://orcid.org/0000-0002-4750-6039
Matthieu ChaventInstitut de Pharmacologie et Biologie Structurale, CNRS, Université de Toulouse, Toulouse, France.ORCID https://orcid.org/0000-0003-4524-4773
Pierre PoulainUniversité Paris Cité, CNRS, Institut Jacques Monod, Paris, France.ORCID https://orcid.org/0000-0003-4177-3619

Funding

BioExcel Center-of-Excellence 101093290BioExcel Center-of-Excellence 823830Data Intelligence Institute of Paris IdEx Université Paris Cité ANR-18-IDEX-0001 2023Institut francais du Danemark Blatand program 2021Novo Nordisk Foundation NNF18OC0033950
6 · The paper itself

Abstract

The rise of open science and the absence of a global dedicated data repository for molecular dynamics (MD) simulations has led to the accumulation of MD files in generalist data repositories, constituting the

Indexed as

Molecular Dynamics SimulationSoftwarecomputational biologyFAIRmodelingmolecular biophysicsmolecular dynamicsnonesimulationstructural biologysystems biology

Identifiers

PMID39212001
PMCPMC11364437

What OpenQuestion holds

Textmetadata
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.