Evidence map›Paper›PMID 33637700›Full record

ArticleNature communications2021

Improved protein structure refinement guided by deep learning based accuracy estimation.

Naozumi Hiranuma, Hahnbeom Park, Minkyung Baek, Ivan Anishchenko, Justas Dauparas, David Baker

Abstract read
In one paragraph

Article in Nature communications, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 120 papers.

0numbers the graph read from it
0cells of the map it votes in
120citing 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

120 citing papers in PubMed.

  1. Article
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  9. Article
  10. Review
  11. Modeling protein-small molecule conformational ensembles with PLACER.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  12. Article
  13. Integrating Machine Learning into Free Energy Perturbation Workflows.Journal of chemical information and modeling · 2025
    Review
  14. Modeling protein-small molecule conformational ensembles with PLACER.bioRxiv : the preprint server for biology · 2025
    Article
  15. Article
  16. Article
  17. Article
  18. Review
  19. Article
  20. Review

60 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Naozumi Hiranuma *Department of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA.
Hahnbeom Park *Department of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA.
Minkyung BaekDepartment of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA.ORCID 0000-0003-3414-9404
Ivan AnishchenkoDepartment of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA.ORCID 0000-0003-3645-2044
Justas DauparasDepartment of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA.
David BakerDepartment of Biochemistry and Institute for Protein Design, University of Washington, Washington, WA, USA. dabaker@uw.edu.ORCID 0000-0001-7896-6217

Funding

Howard Hughes Medical InstituteNIAID NIH HHS HHSN272201700059C
6 · The paper itself

Abstract

We develop a deep learning framework (DeepAccNet) that estimates per-residue accuracy and residue-residue distance signed error in protein models and uses these predictions to guide Rosetta protein structure refinement. The network uses 3D convolutions to evaluate local atomic environments followed by 2D convolutions to provide their global contexts and outperforms other methods that similarly predict the accuracy of protein structure models. Overall accuracy predictions for X-ray and cryoEM structures in the PDB correlate with their resolution, and the network should be broadly useful for assessing the accuracy of both predicted structure models and experimentally determined structures and identifying specific regions likely to be in error. Incorporation of the accuracy predictions at multiple stages in the Rosetta refinement protocol considerably increased the accuracy of the resulting protein structure models, illustrating how deep learning can improve search for global energy minima of biomolecules.

Indexed as

Deep LearningAlgorithmsCaspasesComputational BiologyModels, BiologicalModels, MolecularProtein ConformationProteinsSoftwareCaspasesProteins

Identifiers

PMID33637700
PMCPMC7910447

What OpenQuestion holds

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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.