Cargando…

A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide

The dataset presented here contains quantitative binding scores of scFv-format antibodies against a SARS-CoV-2 target peptide collected via an AlphaSeq assay that can be used in the development and benchmarking of machine learning models. Starting from three seed sequences identified from a phage di...

Descripción completa

Detalles Bibliográficos
Autores principales: Engelhart, Emily, Emerson, Ryan, Shing, Leslie, Lennartz, Chelsea, Guion, Daniel, Kelley, Mary, Lin, Charles, Lopez, Randolph, Younger, David, Walsh, Matthew E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9606274/
https://www.ncbi.nlm.nih.gov/pubmed/36289234
http://dx.doi.org/10.1038/s41597-022-01779-4
_version_ 1784818258749161472
author Engelhart, Emily
Emerson, Ryan
Shing, Leslie
Lennartz, Chelsea
Guion, Daniel
Kelley, Mary
Lin, Charles
Lopez, Randolph
Younger, David
Walsh, Matthew E.
author_facet Engelhart, Emily
Emerson, Ryan
Shing, Leslie
Lennartz, Chelsea
Guion, Daniel
Kelley, Mary
Lin, Charles
Lopez, Randolph
Younger, David
Walsh, Matthew E.
author_sort Engelhart, Emily
collection PubMed
description The dataset presented here contains quantitative binding scores of scFv-format antibodies against a SARS-CoV-2 target peptide collected via an AlphaSeq assay that can be used in the development and benchmarking of machine learning models. Starting from three seed sequences identified from a phage display campaign using a human naïve library, four sets of 29,900 antibodies were designed in silico by creating all k = 1 mutations and random k = 2 and k = 3 mutations throughout the complementary-determining regions (CDRs). Of the 119,600 designs, 104,972 were successfully built in to the AlphaSeq library and target binding was subsequently measured with 71,384 designs resulting in a predicted affinity value for at least one of the triplicate measurements. Data include antibodies with predicted affinity measurements ranging from 37 pM to 22 mM. To our knowledge, this dataset is the largest, publicly available dataset that contains antibody sequences, antigen sequence and quantitative measurements of binding scores and provides an opportunity to serve as a benchmark to evaluate antibody-specific representation models for machine learning.
format Online
Article
Text
id pubmed-9606274
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-96062742022-10-28 A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide Engelhart, Emily Emerson, Ryan Shing, Leslie Lennartz, Chelsea Guion, Daniel Kelley, Mary Lin, Charles Lopez, Randolph Younger, David Walsh, Matthew E. Sci Data Data Descriptor The dataset presented here contains quantitative binding scores of scFv-format antibodies against a SARS-CoV-2 target peptide collected via an AlphaSeq assay that can be used in the development and benchmarking of machine learning models. Starting from three seed sequences identified from a phage display campaign using a human naïve library, four sets of 29,900 antibodies were designed in silico by creating all k = 1 mutations and random k = 2 and k = 3 mutations throughout the complementary-determining regions (CDRs). Of the 119,600 designs, 104,972 were successfully built in to the AlphaSeq library and target binding was subsequently measured with 71,384 designs resulting in a predicted affinity value for at least one of the triplicate measurements. Data include antibodies with predicted affinity measurements ranging from 37 pM to 22 mM. To our knowledge, this dataset is the largest, publicly available dataset that contains antibody sequences, antigen sequence and quantitative measurements of binding scores and provides an opportunity to serve as a benchmark to evaluate antibody-specific representation models for machine learning. Nature Publishing Group UK 2022-10-26 /pmc/articles/PMC9606274/ /pubmed/36289234 http://dx.doi.org/10.1038/s41597-022-01779-4 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Data Descriptor
Engelhart, Emily
Emerson, Ryan
Shing, Leslie
Lennartz, Chelsea
Guion, Daniel
Kelley, Mary
Lin, Charles
Lopez, Randolph
Younger, David
Walsh, Matthew E.
A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title_full A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title_fullStr A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title_full_unstemmed A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title_short A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
title_sort dataset comprised of binding interactions for 104,972 antibodies against a sars-cov-2 peptide
topic Data Descriptor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9606274/
https://www.ncbi.nlm.nih.gov/pubmed/36289234
http://dx.doi.org/10.1038/s41597-022-01779-4
work_keys_str_mv AT engelhartemily adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT emersonryan adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT shingleslie adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lennartzchelsea adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT guiondaniel adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT kelleymary adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lincharles adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lopezrandolph adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT youngerdavid adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT walshmatthewe adatasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT engelhartemily datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT emersonryan datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT shingleslie datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lennartzchelsea datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT guiondaniel datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT kelleymary datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lincharles datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT lopezrandolph datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT youngerdavid datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide
AT walshmatthewe datasetcomprisedofbindinginteractionsfor104972antibodiesagainstasarscov2peptide