Evidence map›Paper›PMID 39693432›Full record

ArticleScience advances2024

Designing microplastic-binding peptides with a variational quantum circuit-based hybrid quantum-classical approach.

Raul Conchello Vendrell, Akshay Ajagekar, Michael T Bergman, Carol K Hall, Fengqi You

Abstract read
In one paragraph

Article in Science advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Technical review of artificial intelligence in TCR-T therapy.Journal of the National Cancer Center · 2026
    Review
  2. Article
  3. Validation ofACS central science · 2026
    Article
  4. Review
  5. Article
  6. Article
  7. Article
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.

Raul Conchello VendrellInstitute for Theoretical Physics, ETH Zurich, Zurich 8093, Switzerland.ORCID 0009-0006-2553-9370
Akshay AjagekarSystems Engineering, College of Engineering, Cornell University, Ithaca, NY 14853, USA.ORCID 0000-0001-9493-6050
Michael T BergmanDepartment of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27606, USA.ORCID 0000-0002-3716-5920
Carol K HallDepartment of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27606, USA.ORCID 0000-0002-7425-587X
Fengqi YouRobert Frederick Smith School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, NY 14853, USA.ORCID 0000-0001-9609-4299

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

De novo peptide design exhibits great potential in materials engineering, particularly for the use of plastic-binding peptides to help remediate microplastic pollution. There are no known peptide binders for many plastics-a gap that can be filled with de novo design. Current computational methods for peptide design exhibit limitations in sampling and scaling that could be addressed with quantum computing. Hybrid quantum-classical methods can leverage complementary strengths of near-term quantum algorithms and classical techniques for complex tasks like peptide design. This work introduces a hybrid quantum-classical generative framework for designing plastic-binding peptides combining variational quantum circuits with a variational autoencoder network. We demonstrate the framework's effectiveness in generating peptide candidates, evaluate its efficiency for property-oriented design, and validate the candidates with molecular dynamics simulations. This quantum computing-based approach could accelerate the development of biomolecular tools for environmental and biomedical applications while advancing the study of biomolecular systems through quantum technologies.

Identifiers

PMID39693432
PMCPMC11654670

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Registered trials

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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.