Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen

We describe here a superposition free method for comparing the surfaces of antibody binding sites based on the Zernike moments and show that they can be used to quickly compare and cluster sets of antibodies. The clusters provide information about the nature of the bound antigen that, when combined...

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Autores principales: Di Rienzo, Lorenzo, Milanetti, Edoardo, Lepore, Rosalba, Olimpieri, Pier Paolo, Tramontano, Anna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364466/
https://www.ncbi.nlm.nih.gov/pubmed/28338016
http://dx.doi.org/10.1038/srep45053
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author Di Rienzo, Lorenzo
Milanetti, Edoardo
Lepore, Rosalba
Olimpieri, Pier Paolo
Tramontano, Anna
author_facet Di Rienzo, Lorenzo
Milanetti, Edoardo
Lepore, Rosalba
Olimpieri, Pier Paolo
Tramontano, Anna
author_sort Di Rienzo, Lorenzo
collection PubMed
description We describe here a superposition free method for comparing the surfaces of antibody binding sites based on the Zernike moments and show that they can be used to quickly compare and cluster sets of antibodies. The clusters provide information about the nature of the bound antigen that, when combined with a method for predicting the number of direct antibody antigen contacts, allows the discrimination between protein and non-protein binding antibodies with an accuracy of 76%. This is of relevance in several aspects of antibody science, for example to select the framework to be used for a combinatorial antibody library.
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spelling pubmed-53644662017-03-28 Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen Di Rienzo, Lorenzo Milanetti, Edoardo Lepore, Rosalba Olimpieri, Pier Paolo Tramontano, Anna Sci Rep Article We describe here a superposition free method for comparing the surfaces of antibody binding sites based on the Zernike moments and show that they can be used to quickly compare and cluster sets of antibodies. The clusters provide information about the nature of the bound antigen that, when combined with a method for predicting the number of direct antibody antigen contacts, allows the discrimination between protein and non-protein binding antibodies with an accuracy of 76%. This is of relevance in several aspects of antibody science, for example to select the framework to be used for a combinatorial antibody library. Nature Publishing Group 2017-03-24 /pmc/articles/PMC5364466/ /pubmed/28338016 http://dx.doi.org/10.1038/srep45053 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Di Rienzo, Lorenzo
Milanetti, Edoardo
Lepore, Rosalba
Olimpieri, Pier Paolo
Tramontano, Anna
Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title_full Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title_fullStr Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title_full_unstemmed Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title_short Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
title_sort superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364466/
https://www.ncbi.nlm.nih.gov/pubmed/28338016
http://dx.doi.org/10.1038/srep45053
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