Evidence map›Paper›PMID 36525975›Full record

ArticleStructure (London, England : 1993)2023

Benchmarking AlphaFold2 on peptide structure prediction.

Eli Fritz McDonald, Taylor Jones, Lars Plate, Jens Meiler, Alican Gulsevin

Abstract read
In one paragraph

Article in Structure (London, England : 1993), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 80 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
80citing papers in PubMed, 1 pooled it
–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

80 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Review
  3. Article
  4. Article
  5. Article
  6. Article
  7. The Ascent of Miniproteins.Biochemistry · 2026
    Review
  8. Review
  9. Article
  10. Review
  11. Article
  12. Article
  13. Article
  14. Article
  15. Peptide-protein docking: from physics-based models to generative intelligence.Chemical communications (Cambridge, England) · 2026
    Review
  16. Review
  17. The rise and future of peptide-based antimicrobials.Journal of microbiology (Seoul, Korea) · 2026
    Review
  18. Article
  19. Peptide-based drug design using generative AI.Chemical communications (Cambridge, England) · 2026
    Review
  20. Article

20 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

5 authors.

Eli Fritz McDonaldDepartment of Chemistry, Vanderbilt University, Nashville, TN 37212, USA; Center for Structural Biology, Vanderbilt University, Nashville, TN 37212, USA.
Taylor JonesDepartment of Chemistry, Vanderbilt University, Nashville, TN 37212, USA; Center for Structural Biology, Vanderbilt University, Nashville, TN 37212, USA.
Lars PlateDepartment of Chemistry, Vanderbilt University, Nashville, TN 37212, USA; Department of Biological Sciences, Vanderbilt University, Nashville, TN 37212, USA.
Jens MeilerDepartment of Chemistry, Vanderbilt University, Nashville, TN 37212, USA; Center for Structural Biology, Vanderbilt University, Nashville, TN 37212, USA; Institute for Drug Discovery, Leipzig University Medical School, 04103 Leipzig, Germany. Electronic address: jens.meiler@vanderbilt.edu.
Alican GulsevinDepartment of Chemistry, Vanderbilt University, Nashville, TN 37212, USA; Center for Structural Biology, Vanderbilt University, Nashville, TN 37212, USA. Electronic address: alican.gulsevin@vanderbilt.edu.

Funding

Coordination of chaperone interactions that dictate protein folding and traffickingR35GM133552 · NIGMS · VANDERBILT UNIVERSITY · PI Lars Plate · 2019 to 2026
$3.2M
Membrane Protein Structure Elucidation from sparse NMR data (KAMP)R01GM080403 · NIGMS · VANDERBILT UNIVERSITY · PI MEILER, JENS · 2007 to 2019
$3.0M
Structural basis for caveolae assembly and functionR01HL144131 · NHLBI · VANDERBILT UNIVERSITY · PI KENWORTHY, ANNE K, OHI, MELANIE DIANE · 2018 to 2021
$2.2M
High-Performance Computer Cluster for Biomedical ResearchS10OD023680 · OD · VANDERBILT UNIVERSITY · PI MEILER, JENS · 2017 to 2017
$587k
Molecular Chaperone Recognition of CFTR StabilityF31HL162483 · NHLBI · VANDERBILT UNIVERSITY · PI MCDONALD, ELI FRITZ · 2022 to 2023
$58k
NHLBI NIH HHS F31 HL162483NHLBI NIH HHS R01 HL144131NIGMS NIH HHS R01 GM080403NIGMS NIH HHS R35 GM133552NIH HHS S10 OD023680
6 · The paper itself

Abstract

Recent advancements in computational tools have allowed protein structure prediction with high accuracy. Computational prediction methods have been used for modeling many soluble and membrane proteins, but the performance of these methods in modeling peptide structures has not yet been systematically investigated. We benchmarked the accuracy of AlphaFold2 in predicting 588 peptide structures between 10 and 40 amino acids using experimentally determined NMR structures as reference. Our results showed AlphaFold2 predicts α-helical, β-hairpin, and disulfide-rich peptides with high accuracy. AlphaFold2 performed at least as well if not better than alternative methods developed specifically for peptide structure prediction. AlphaFold2 showed several shortcomings in predicting Φ/Ψ angles, disulfide bond patterns, and the lowest RMSD structures failed to correlate with lowest pLDDT ranked structures. In summary, computation can be a powerful tool to predict peptide structures, but additional steps may be necessary to analyze and validate the results.

Indexed as

PeptidesDisulfidesMembrane ProteinsProtein ConformationProtein Structure, SecondaryDisulfidesMembrane ProteinsPeptidesAlphaFold2benchmarkdisulfide bondspeptidespLDDTprotein foldingstructure prediction

Identifiers

PMID36525975
PMCPMC9883802

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.