Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.

<h4>Motivation</h4>The conformational B-cell epitopes are the specific sites on the antigens that have immune functions. The identification of conformational B-cell epitopes is of great importance to immunologists for facilitating the design of peptide-based vaccines. As an attempt to na...

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Autores principales: Wen Zhang, Yanqing Niu, Yi Xiong, Meng Zhao, Rongwei Yu, Juan Liu
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Publicado: Public Library of Science (PLoS) 2012
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Acceso en línea:https://doaj.org/article/b4c65f913da248c9bac135e9538bcf1d
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spelling oai:doaj.org-article:b4c65f913da248c9bac135e9538bcf1d2021-11-18T07:08:05ZComputational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.1932-620310.1371/journal.pone.0043575https://doaj.org/article/b4c65f913da248c9bac135e9538bcf1d2012-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/22927994/?tool=EBIhttps://doaj.org/toc/1932-6203<h4>Motivation</h4>The conformational B-cell epitopes are the specific sites on the antigens that have immune functions. The identification of conformational B-cell epitopes is of great importance to immunologists for facilitating the design of peptide-based vaccines. As an attempt to narrow the search for experimental validation, various computational models have been developed for the epitope prediction by using antigen structures. However, the application of these models is undermined by the limited number of available antigen structures. In contrast to the most of available structure-based methods, we here attempt to accurately predict conformational B-cell epitopes from antigen sequences.<h4>Methods</h4>In this paper, we explore various sequence-derived features, which have been observed to be associated with the location of epitopes or ever used in the similar tasks. These features are evaluated and ranked by their discriminative performance on the benchmark datasets. From the perspective of information science, the combination of various features can usually lead to better results than the individual features. In order to build the robust model, we adopt the ensemble learning approach to incorporate various features, and develop the ensemble model to predict conformational epitopes from antigen sequences.<h4>Results</h4>Evaluated by the leave-one-out cross validation, the proposed method gives out the mean AUC scores of 0.687 and 0.651 on two datasets respectively compiled from the bound structures and unbound structures. When compared with publicly available servers by using the independent dataset, our method yields better or comparable performance. The results demonstrate the proposed method is useful for the sequence-based conformational epitope prediction.<h4>Availability</h4>The web server and datasets are freely available at http://bcell.whu.edu.cn.Wen ZhangYanqing NiuYi XiongMeng ZhaoRongwei YuJuan LiuPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 7, Iss 8, p e43575 (2012)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
Wen Zhang
Yanqing Niu
Yi Xiong
Meng Zhao
Rongwei Yu
Juan Liu
Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
description <h4>Motivation</h4>The conformational B-cell epitopes are the specific sites on the antigens that have immune functions. The identification of conformational B-cell epitopes is of great importance to immunologists for facilitating the design of peptide-based vaccines. As an attempt to narrow the search for experimental validation, various computational models have been developed for the epitope prediction by using antigen structures. However, the application of these models is undermined by the limited number of available antigen structures. In contrast to the most of available structure-based methods, we here attempt to accurately predict conformational B-cell epitopes from antigen sequences.<h4>Methods</h4>In this paper, we explore various sequence-derived features, which have been observed to be associated with the location of epitopes or ever used in the similar tasks. These features are evaluated and ranked by their discriminative performance on the benchmark datasets. From the perspective of information science, the combination of various features can usually lead to better results than the individual features. In order to build the robust model, we adopt the ensemble learning approach to incorporate various features, and develop the ensemble model to predict conformational epitopes from antigen sequences.<h4>Results</h4>Evaluated by the leave-one-out cross validation, the proposed method gives out the mean AUC scores of 0.687 and 0.651 on two datasets respectively compiled from the bound structures and unbound structures. When compared with publicly available servers by using the independent dataset, our method yields better or comparable performance. The results demonstrate the proposed method is useful for the sequence-based conformational epitope prediction.<h4>Availability</h4>The web server and datasets are freely available at http://bcell.whu.edu.cn.
format article
author Wen Zhang
Yanqing Niu
Yi Xiong
Meng Zhao
Rongwei Yu
Juan Liu
author_facet Wen Zhang
Yanqing Niu
Yi Xiong
Meng Zhao
Rongwei Yu
Juan Liu
author_sort Wen Zhang
title Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
title_short Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
title_full Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
title_fullStr Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
title_full_unstemmed Computational prediction of conformational B-cell epitopes from antigen primary structures by ensemble learning.
title_sort computational prediction of conformational b-cell epitopes from antigen primary structures by ensemble learning.
publisher Public Library of Science (PLoS)
publishDate 2012
url https://doaj.org/article/b4c65f913da248c9bac135e9538bcf1d
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AT yixiong computationalpredictionofconformationalbcellepitopesfromantigenprimarystructuresbyensemblelearning
AT mengzhao computationalpredictionofconformationalbcellepitopesfromantigenprimarystructuresbyensemblelearning
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