Evidence map›Paper›PMID 39576578›Full record

ReviewMethods in molecular biology (Clifton, N.J.)2025

Beyond AlphaFold2: The Impact of AI for the Further Improvement of Protein Structure Prediction.

Ahmet Gurkan Genc, Liam J McGuffin

Abstract readReview
PubMed Publisher
In one paragraph

Review in Methods in molecular biology (Clifton, N.J.), 2025. 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. Review
  2. Tree-Based Methods to Predict Enzyme Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  3. Neural Networks to Calculate CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  4. CDK7 as a Target for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  5. Machine Learning to Predict CDK4 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  6. Molegro Virtual Docker for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  7. Gradient Descent to Predict Enzyme Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  8. Hands-On Docking with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  9. Calculating Enzyme Inhibition with Random Forests.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  10. Molegro Data Modeller for Machine Learning.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  11. Extremely Randomized Trees to Determine Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  12. Decision Tree for Prediction of Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  13. AlphaFold for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  14. Neural Networks with Molegro Data Modeller.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  15. Targeting CDK9 with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  16. Differential Evolution for Docking Simulations.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  17. Molegro Data Modeller to Estimate CDK6 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  18. New Sights into Bioinformatics of Gene Regulations and Structure.International journal of molecular sciences · 2025
    Article
  19. Review
  20. Review
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

2 authors.

Ahmet Gurkan GencSchool of Biological Sciences, University of Reading, Reading, UK.
Liam J McGuffinSchool of Biological Sciences, University of Reading, Reading, UK. l.j.mcguffin@reading.ac.uk.

Funding

Biotechnology and Biological Sciences Research Council (BBSRC) BB/T018496/1
6 · The paper itself

Abstract

Protein structure prediction is fundamental to molecular biology and has numerous applications in areas such as drug discovery and protein engineering. Machine learning techniques have greatly advanced protein 3D modeling in recent years, particularly with the development of AlphaFold2 (AF2), which can analyze sequences of amino acids and predict 3D structures with near experimental accuracy. Since the release of AF2, numerous studies have been conducted, either using AF2 directly for large-scale modeling or building upon the software for other use cases. Many reviews have been published discussing the impact of AF2 in the field of protein bioinformatics, particularly in relation to neural networks, which have highlighted what AF2 can and cannot do. It is evident that AF2 and similar approaches are open to further development and several new approaches have emerged, in addition to older refinement approaches, for improving the quality of predictions. Here we provide a brief overview, aimed at the general biologist, of how machine learning techniques have been used for improvement of 3D models of proteins following AF2, and we highlight the impacts of these approaches. In the most recent experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP15), the most successful groups all developed their own tools for protein structure modeling that were based at least in some part on AF2. This improvement involved employing techniques such as generative modeling, changing parameters such as dropout to generate more AF2 structures, and data-driven approaches including using alternative templates and MSAs.

Indexed as

Machine LearningModels, MolecularProtein ConformationProteinsComputational BiologyDatabases, ProteinNeural Networks, ComputerProtein FoldingSoftwareProteinsAlphaFoldCASPData-driven approachesMachine learningProtein refinement

Identifiers

What OpenQuestion holds

Textmetadata
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.