Evidence map›Paper›PMID 38913746›Full record

ArticlePLoS computational biology2024

Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design.

Jared Adolf-Bryfogle, Jason W Labonte, John C Kraft, Maxim Shapovalov, Sebastian Raemisch, Thomas Lütteke, Frank DiMaio, Christopher D Bahl, Jesper Pallesen, Neil P King and 3 more

Abstract read
In one paragraph

Article in PLoS computational biology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.

0numbers the graph read from it
0cells of the map it votes in
20citing 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

20 citing papers in PubMed.

  1. Article
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  12. De novo design of monomeric helical bundles for pH-controlled membrane lysis.Protein science : a publication of the Protein Society · 2023
    Article
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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

13 authors.

Jared Adolf-BryfogleDepartment of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America.ORCID 0000-0001-8586-1907
Jason W LabonteDepartment of Chemistry & Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, United States of America.
John C KraftDepartment of Biochemistry, University of Washington, Seattle, Washington, United States of America.
Maxim ShapovalovFox Chase Cancer Center, Philadelphia, Pennsylvania, United States of America.
Sebastian RaemischDepartment of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America.
Thomas LüttekeInstitute of Veterinary Physiology and Biochemistry, Justus-Liebig-University Giessen, Giessen, Germany.
Frank DiMaioDepartment of Biochemistry, University of Washington, Seattle, Washington, United States of America.
Christopher D BahlInstitute for Protein Innovation, Boston, Massachusetts, United States of America.
Jesper PallesenDepartment of Molecular and Cellular Biochemistry, Indiana University, Bloomington, Indiana, United States of America.
Neil P KingDepartment of Biochemistry, University of Washington, Seattle, Washington, United States of America.
Jeffrey J GrayDepartment of Chemistry & Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, United States of America.
Daniel W KulpVaccine and Immunotherapy Center, The Wistar Institute, Philadelphia, Pennsylvania, United States of America.
William R SchiefDepartment of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America.

Funding

Identification of neutralizing epitopes on SARS-CoV-2 spike for design of vaccines and small-molecule antiviralsUM1AI144462 · NIAID · SCRIPPS RESEARCH INSTITUTE, THE · PI BURTON, DENNIS R. · 2019 to 2025
$201.6M
Support Component D/Vaccine Discovery, Concept to ClinicUM1AI100663 · NIAID · SCRIPPS RESEARCH INSTITUTE, THE · PI BAROUCH, DAN H. · 2012 to 2018
$131.5M
CHEETAH Center for the Structural Biology of HIV Infection, Restriction, and Viral DynamicsU54AI170856 · NIAID · UTAH STATE HIGHER EDUCATION SYSTEM--UNIVERSITY OF UTAH · PI WALTHER H MOTHES · 2022 to 2026
$34.4M
Structure-based design of broadly protective coronavirus vaccinesP01AI167966 · NIAID · UNIVERSITY OF WASHINGTON · PI Francois J Villinger · 2022 to 2026
$15.3M
Virus TransmissionP50AI150464 · NIAID · UNIVERSITY OF UTAH · PI BJORKMAN, PAMELA J · 2019 to 2021
$14.9M
Structure based design of antibodies and vaccinesU19AI117905 · NIAID · VANDERBILT UNIVERSITY MEDICAL CENTER · PI SCHIEF, WILLIAM R. · 2015 to 2019
$12.0M
PATHOGENESIS AND IMMUNOLOGY OF DISEASET32AI007244 · NIAID · SCRIPPS RESEARCH INSTITUTE, THE · PI NEMAZEE, DAVID · 1985 to 2022
$8.8M
Structural Bioinformatics of Proteins and Protein Complexes and Applications to Cancer BiologyR35GM122517 · NIGMS · RESEARCH INST OF FOX CHASE CAN CTR · PI ROLAND L DUNBRACK · 2017 to 2026
$6.3M
Structural vaccinology guided development of a universal CoV vaccine utilizing nucleic acid delivered nanoparticlesP01AI165066 · NIAID · WISTAR INSTITUTE · PI DAVID B. WEINER · 2022 to 2026
$5.3M
Technologies to predict and probe glycosyl transferR01GM127578 · NIGMS · JOHNS HOPKINS UNIVERSITY · PI GRAY, JEFFREY J · 2018 to 2020
$1.6M
Biodegradable nanocarriers and antibodies as targeting delivery vehicles for cancer metallodrugsSC1GM127278 · NIGMS · BROOKLYN COLLEGE · PI CONTEL, MARIA · 2018 to 2021
$1.6M
NIAID NIH HHS P01 AI167966NIAID NIH HHS P50 AI150464NIAID NIH HHS T32 AI007244NIAID NIH HHS U19 AI117905NIAID NIH HHS U54 AI170856NIAID NIH HHS UM1 AI100663NIAID NIH HHS UM1 AI144462NIGMS NIH HHS R01 GM127578NIGMS NIH HHS R35 GM122517NIGMS NIH HHS SC1 GM127278
6 · The paper itself

Abstract

Carbohydrates and glycoproteins modulate key biological functions. However, experimental structure determination of sugar polymers is notoriously difficult. Computational approaches can aid in carbohydrate structure prediction, structure determination, and design. In this work, we developed a glycan-modeling algorithm, GlycanTreeModeler, that computationally builds glycans layer-by-layer, using adaptive kernel density estimates (KDE) of common glycan conformations derived from data in the Protein Data Bank (PDB) and from quantum mechanics (QM) calculations. GlycanTreeModeler was benchmarked on a test set of glycan structures of varying lengths, or "trees". Structures predicted by GlycanTreeModeler agreed with native structures at high accuracy for both de novo modeling and experimental density-guided building. We employed these tools to design de novo glycan trees into a protein nanoparticle vaccine to shield regions of the scaffold from antibody recognition, and experimentally verified shielding. This work will inform glycoprotein model prediction, glycan masking, and further aid computational methods in experimental structure determination and refinement.

Indexed as

AlgorithmsComputational BiologyGlycoproteinsModels, MolecularPolysaccharidesCarbohydrate ConformationDatabases, ProteinSoftwareGlycoproteinsPolysaccharides

Identifiers

PMID38913746
PMCPMC11288642

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.