Evidence map›Paper›PMID 42327288›Full record

ArticlebioRxiv : the preprint server for biology2026

Deep learning based design of buried hydrogen bond networks with HBDesigner.

Henry Dieckhaus, Brock T Harvey, Tomiris Mulikova, Jessica T Horenstein, Nathan I Nicely, Nicholas Z Randolph, Brian Kuhlman

Abstract readPreprint
In one paragraph

Article in bioRxiv : the preprint server for biology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

7 authors.

Henry DieckhausDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Brock T HarveyDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Tomiris MulikovaDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Jessica T HorensteinDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Nathan I NicelyDepartment of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Nicholas Z RandolphDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.
Brian KuhlmanDepartment of Biochemistry and Biophysics, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.ORCID 0000-0003-4907-9699

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Accurate design of hydrogen-bonding (H-bonding) interactions is a longstanding goal in protein design, as they can facilitate specific protein-protein interactions while improving the solubility of the proteins in the unbound state. Despite this, computational design of H-bond networks remains underexplored in the deep learning era. Here, we present HBDesigner, a novel algorithm for H-bond network design. Through a combination of deep learning-based sampling and atomistic energy scoring, HBDesigner outperforms existing tools in designing connected H-bond networks onto protein scaffolds. We demonstrate the usefulness of HBDesigner by creating monomeric proteins with buried polar interactions and homodimers with extended interface H-bond networks, and by installing specificity into a family of homologous heterodimers where prior design tools fail to do so. The ability to design H-bond networks into arbitrary protein scaffolds should be broadly useful for a wide range of design applications.

Identifiers

PMID42327288
PMCPMC13277954

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LicenceCC BY-NC-ND
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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.