Evidence map›Paper›PMID 38904665›Full record

ArticleeLife2024

Automated multiconformer model building for X-ray crystallography and cryo-EM.

Stephanie A Wankowicz, Ashraya Ravikumar, Shivani Sharma, Blake Riley, Akshay Raju, Daniel W Hogan, Jessica Flowers, Henry van den Bedem, Daniel A Keedy, James S Fraser

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 25 papers.

0numbers the graph read from it
0cells of the map it votes in
25citing 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

25 citing papers in PubMed.

  1. Review
  2. Article
  3. Evaluating generalization in protein-ligand cofolding methods.Nature structural & molecular biology · 2026
    Article
  4. Article
  5. The Untangle Challenge for accurate ensemble models.bioRxiv : the preprint server for biology · 2026
    Article
  6. Article
  7. Article
  8. Review
  9. Ten rules for a structural bioinformatic analysis.PLoS computational biology · 2025
    Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Review
  15. Article
  16. If you cannot see it, is it still there?Journal of applied crystallography · 2025
    Article
  17. Review
  18. Review
  19. A snapshot love story: what serial crystallography has done and will do for us.Acta crystallographica. Section D, Structural biology · 2024
    Review
  20. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

10 authors.

Stephanie A WankowiczDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.ORCID https://orcid.org/0000-0002-4225-7459
Ashraya RavikumarDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.
Shivani SharmaStructural Biology Initiative, CUNY Advanced Science Research Center, New York, United States.
Blake RileyStructural Biology Initiative, CUNY Advanced Science Research Center, New York, United States.
Akshay RajuStructural Biology Initiative, CUNY Advanced Science Research Center, New York, United States.
Daniel W HoganDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.ORCID https://orcid.org/0000-0003-3375-408X
Jessica FlowersDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.
Henry van den BedemDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.
Daniel A KeedyStructural Biology Initiative, CUNY Advanced Science Research Center, New York, United States.ORCID https://orcid.org/0000-0002-9184-7586
James S FraserDepartment of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.ORCID https://orcid.org/0000-0002-5080-2859

Funding

Equipment for Discovering and Manipulating Macromolecular Conformational EnsemblesR35GM145238 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI James Solomon Fraser · 2022 to 2026
$3.1M
Nanuq Cryocooling SystemR35GM133769 · NIGMS · ADVANCED SCIENCE RESEARCH CENTER · PI Daniel A Keedy · 2019 to 2026
$2.9M
Molecular Biophysics Training GrantT32GM149436 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Aashish Manglik · 2023 to 2026
$1.6M
Chan Zuckerberg Initiative EOSS5NIGMS NIH HHS R35 GM133769NIGMS NIH HHS R35 GM145238NIGMS NIH HHS T32 GM149436NIH HHS GM133769NIH HHS GM145238
6 · The paper itself

Abstract

In their folded state, biomolecules exchange between multiple conformational states that are crucial for their function. Traditional structural biology methods, such as X-ray crystallography and cryogenic electron microscopy (cryo-EM), produce density maps that are ensemble averages, reflecting molecules in various conformations. Yet, most models derived from these maps explicitly represent only a single conformation, overlooking the complexity of biomolecular structures. To accurately reflect the diversity of biomolecular forms, there is a pressing need to shift toward modeling structural ensembles that mirror the experimental data. However, the challenge of distinguishing signal from noise complicates manual efforts to create these models. In response, we introduce the latest enhancements to qFit, an automated computational strategy designed to incorporate protein conformational heterogeneity into models built into density maps. These algorithmic improvements in qFit are substantiated by superior R

Indexed as

Cryoelectron MicroscopyModels, MolecularProtein ConformationAlgorithmsComputational BiologyCrystallography, X-RayProteinsSoftwareProteinsconformational heterogeneitycryo-EMmolecular biophysicsnoneprotein dynamicsstructural biologyX-ray crystallography

Identifiers

PMID38904665
PMCPMC11192534

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.