Evidence map›Paper›PMID 37257257›Full record

ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2023

Blind assessment of monomeric AlphaFold2 protein structure models with experimental NMR data.

Ethan H Li, Laura E Spaman, Roberto Tejero, Yuanpeng Janet Huang, Theresa A Ramelot, Keith J Fraga, James H Prestegard, Michael A Kennedy, Gaetano T Montelione

Abstract read
In one paragraph

Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.

0numbers the graph read from it
0cells of the map it votes in
21citing 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

21 citing papers in PubMed.

  1. Article
  2. Modernizing biomolecular NMR: The POKY suite.The Journal of biological chemistry · 2026
    Review
  3. Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. The physics-AI dialogue in drug design.RSC medicinal chemistry · 2025
    Review
  11. ACS omega · 2025
    Article
  12. Article
  13. Article
  14. Article
  15. AlphaFold two years on: Validation and impact.Proceedings of the National Academy of Sciences of the United States of America · 2024
    Article
  16. Review
  17. Article
  18. Review
  19. Article
  20. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

9 authors.

Ethan H LiDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA.
Laura E SpamanDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: spamal@rpi.edu.
Roberto TejeroDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: roberto.tejero@uv.es.
Yuanpeng Janet HuangDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: huangy26@rpi.edu.
Theresa A RamelotDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: ramelt2@rpi.edu.
Keith J FragaDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: fragak2@rpi.edu.
James H PrestegardComplex Carbohydrate Research Center, University of Georgia, Athens, GA 30602, USA. Electronic address: jpresteg@ccrc.uga.edu.
Michael A KennedyDepartment of Chemistry and Biochemistry, Miami University, Oxford, OH 45056, USA. Electronic address: kennedm4@miamioh.edu.
Gaetano T MontelioneDepartment of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. Electronic address: monteg3@rpi.edu.

Funding

Hybrid Methods for Dynamic Structure Analysis of Proteins from Pathogenic MicroorganismsR35GM141818 · NIGMS · RENSSELAER POLYTECHNIC INSTITUTE · PI MONTELIONE, GAETANO T · 2021 to 2025
$3.3M
NIGMS NIH HHS R35 GM141818
6 · The paper itself

Abstract

Recent advances in molecular modeling of protein structures are changing the field of structural biology. AlphaFold-2 (AF2), an AI system developed by DeepMind, Inc., utilizes attention-based deep learning to predict models of protein structures with high accuracy relative to structures determined by X-ray crystallography and cryo-electron microscopy (cryoEM). Comparing AF2 models to structures determined using solution NMR data, both high similarities and distinct differences have been observed. Since AF2 was trained on X-ray crystal and cryoEM structures, we assessed how accurately AF2 can model small, monomeric, solution protein NMR structures which (i) were not used in the AF2 training data set, and (ii) did not have homologous structures in the Protein Data Bank at the time of AF2 training. We identified nine open-source protein NMR data sets for such "blind" targets, including chemical shift, raw NMR FID data, NOESY peak lists, and (for 1 case)

Indexed as

FurylfuramideProteinsCryoelectron MicroscopyNuclear Magnetic Resonance, BiomolecularProtein ConformationFurylfuramideProteinsAlphaFold2Artificial intelligenceDeep learningModel validationNMR dataProtein NMR

Identifiers

PMID37257257
PMCPMC10659763

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.