Evidence map›Paper›PMID 41061744›Full record

ArticleNature2025

Enzyme specificity prediction using cross-attention graph neural networks.

Haiyang Cui, Yufeng Su, Tanner J Dean, Tianhao Yu, Zhengyi Zhang, Jian Peng, Diwakar Shukla, Huimin Zhao

Abstract read
PubMed Publisher
In one paragraph

Article in Nature, 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. Predicting Functional Diversity Within Enzyme Families: A Practical Perspective.Chembiochem : a European journal of chemical biology · 2026
    Review
  2. Information leakage in enzyme-substrate prediction.Bioinformatics (Oxford, England) · 2026
    Article
  3. Predicting Enzyme Turnover Numbers and Enabling Rational Enzyme Evolution.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  4. Robots and Minimal, Physics-Informed Features: A Hybrid Framework for Enzyme Catalysis.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  5. Article
  6. Article
  7. Article
  8. Discovery of a phenazine-thiol conjugase from sparse data using genome-informed machine learning.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  9. Applications and limitations of AI tools in enzyme design.Protein science : a publication of the Protein Society · 2026
    Review
  10. Article
  11. Review
  12. Article
  13. Article
  14. Article
  15. Review
  16. Dual-encoder contrastive learning accelerates enzyme discovery.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  17. Article
  18. 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

8 authors.

Haiyang Cui *Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.ORCID 0000-0001-8360-0447
Yufeng Su *NSF Molecule Maker Lab Institute, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.
Tanner J Dean *NSF Molecule Maker Lab Institute, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.
Tianhao YuDepartment of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.
Zhengyi ZhangDepartment of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.ORCID 0000-0002-4228-8773
Jian PengDepartment of Computer Science, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA.
Diwakar ShuklaDepartment of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA. diwakar@illinois.edu.ORCID 0000-0003-4079-5381
Huimin ZhaoDepartment of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana-Champaign, IL, USA. zhao5@illinois.edu.ORCID 0000-0002-9069-6739

Funding

Elucidating sequence, structural and dynamic basis of the functional regulation of membrane proteinsR35GM142745 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI SHUKLA, DIWAKAR · 2021 to 2025
$1.8M
NIGMS NIH HHS R35 GM142745
6 · The paper itself

Abstract

Enzymes are the molecular machines of life, and a key property that governs their function is substrate specificity-the ability of an enzyme to recognize and selectively act on particular substrates. This specificity originates from the three-dimensional (3D) structure of the enzyme active site and complicated transition state of the reaction

Indexed as

EnzymesGraph Neural NetworksBiocatalysisCatalytic DomainDatabases, ProteinMachine LearningModels, MolecularReproducibility of ResultsSubstrate SpecificityEnzymes

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.