Evidence map›Paper›PMID 38704695›Full record

ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2024

HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small Molecules.

Xuanbai Ren, Jiaying Wei, Xiaoli Luo, Yuansheng Liu, Kenli Li, Qiang Zhang, Xin Gao, Sizhe Yan, Xia Wu, Xingyue Jiang and 5 more

Abstract read
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.

0numbers the graph read from it
0cells of the map it votes in
22citing 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

22 citing papers in PubMed.

  1. Review
  2. Review
  3. Article
  4. Review
  5. Review
  6. Article
  7. Ligand-Induced Electronic Response Enables Predictive QM/MM Simulations.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  8. Article
  9. Article
  10. Article
  11. Article
  12. Review
  13. Article
  14. Article
  15. Article
  16. Article
  17. Review
  18. Predicting the Mechanical Properties of Supramolecular Gels.Advanced materials (Deerfield Beach, Fla.) · 2025
    Article
  19. Article
  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

15 authors.

Xuanbai RenCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Jiaying WeiState Key Laboratory of Chemo/Bio-Sensing and Chemometrics, School of Biomedical Sciences, Hunan University, Changsha, 410003, China.
Xiaoli LuoCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Yuansheng LiuCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Kenli LiCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Qiang ZhangZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou, 311200, China.
Xin GaoComputational Bioscience Research Center (CBRC), Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Saudi Arabia.
Sizhe YanState Key Laboratory of Chemo/Bio-Sensing and Chemometrics, School of Biomedical Sciences, Hunan University, Changsha, 410003, China.
Xia WuState Key Laboratory of Chemo/Bio-Sensing and Chemometrics, School of Biomedical Sciences, Hunan University, Changsha, 410003, China.
Xingyue JiangState Key Laboratory of Chemo/Bio-Sensing and Chemometrics, School of Biomedical Sciences, Hunan University, Changsha, 410003, China.
Mingquan LiuCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Dongsheng CaoXiangya School of Pharmaceutical Sciences, Central South University, Changsha, 410003, China.
Leyi WeiSchool of Software, Shandong University, Jinan, 250100, China.
Xiangxiang ZengCollege of Information Science and Engineering, Hunan University, Changsha, 410003, China.
Junfeng ShiState Key Laboratory of Chemo/Bio-Sensing and Chemometrics, School of Biomedical Sciences, Hunan University, Changsha, 410003, China.ORCID 0000-0001-7705-8866

Funding

Hunan UniversityKing Abdullah University of Science and Technology FCC/1/1976-44-01King Abdullah University of Science and Technology FCC/1/1976-45-01King Abdullah University of Science and Technology REI/1/4940-01-01King Abdullah University of Science and Technology REI/1/5202-01-01King Abdullah University of Science and Technology RGC/3/4816-01-01King Abdullah University of Science and Technology URF/1/4663-01-01National Natural Science Foundation of China 21975068National Natural Science Foundation of China 51903082National Natural Science Foundation of China 62372159Natural Science Foundation of Hunan Province 2020RC3017Natural Science Foundation of Hunan Province 2022JJ10008
6 · The paper itself

Abstract

Self-assembling peptides have numerous applications in medicine, food chemistry, and nanotechnology. However, their discovery has traditionally been serendipitous rather than driven by rational design. Here, HydrogelFinder, a foundation model is developed for the rational design of self-assembling peptides from scratch. This model explores the self-assembly properties by molecular structure, leveraging 1,377 self-assembling non-peptidal small molecules to navigate chemical space and improve structural diversity. Utilizing HydrogelFinder, 111 peptide candidates are generated and synthesized 17 peptides, subsequently experimentally validating the self-assembly and biophysical characteristics of nine peptides ranging from 1-10 amino acids-all achieved within a 19-day workflow. Notably, the two de novo-designed self-assembling peptides demonstrated low cytotoxicity and biocompatibility, as confirmed by live/dead assays. This work highlights the capacity of HydrogelFinder to diversify the design of self-assembling peptides through non-peptidal small molecules, offering a powerful toolkit and paradigm for future peptide discovery endeavors.

Indexed as

PeptidesPeptidesartificial intelligencedeep generative modelmachine learningself‐assembly

Identifiers

PMID38704695
PMCPMC11234452

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.