SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated accuracy of 0.95 and sensitivity of 0.98 on an independent test set. The predictor was developed using an ensemble machine lea...

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Autores principales: Moreira, Irina S., Koukos, Panagiotis I., Melo, Rita, Almeida, Jose G., Preto, Antonio J., Schaarschmidt, Joerg, Trellet, Mikael, Gümüş, Zeynep H., Costa, Joaquim, Bonvin, Alexandre M. J. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5556074/
https://www.ncbi.nlm.nih.gov/pubmed/28808256
http://dx.doi.org/10.1038/s41598-017-08321-2
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author Moreira, Irina S.
Koukos, Panagiotis I.
Melo, Rita
Almeida, Jose G.
Preto, Antonio J.
Schaarschmidt, Joerg
Trellet, Mikael
Gümüş, Zeynep H.
Costa, Joaquim
Bonvin, Alexandre M. J. J.
author_facet Moreira, Irina S.
Koukos, Panagiotis I.
Melo, Rita
Almeida, Jose G.
Preto, Antonio J.
Schaarschmidt, Joerg
Trellet, Mikael
Gümüş, Zeynep H.
Costa, Joaquim
Bonvin, Alexandre M. J. J.
author_sort Moreira, Irina S.
collection PubMed
description We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated accuracy of 0.95 and sensitivity of 0.98 on an independent test set. The predictor was developed using an ensemble machine learning approach with up-sampling of the minor class. It was trained on 53 complexes using various features, based on both protein 3D structure and sequence. The SpotOn web interface is freely available at: http://milou.science.uu.nl/services/SPOTON/.
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spelling pubmed-55560742017-08-16 SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots Moreira, Irina S. Koukos, Panagiotis I. Melo, Rita Almeida, Jose G. Preto, Antonio J. Schaarschmidt, Joerg Trellet, Mikael Gümüş, Zeynep H. Costa, Joaquim Bonvin, Alexandre M. J. J. Sci Rep Article We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated accuracy of 0.95 and sensitivity of 0.98 on an independent test set. The predictor was developed using an ensemble machine learning approach with up-sampling of the minor class. It was trained on 53 complexes using various features, based on both protein 3D structure and sequence. The SpotOn web interface is freely available at: http://milou.science.uu.nl/services/SPOTON/. Nature Publishing Group UK 2017-08-14 /pmc/articles/PMC5556074/ /pubmed/28808256 http://dx.doi.org/10.1038/s41598-017-08321-2 Text en © The Author(s) 2017 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/.
spellingShingle Article
Moreira, Irina S.
Koukos, Panagiotis I.
Melo, Rita
Almeida, Jose G.
Preto, Antonio J.
Schaarschmidt, Joerg
Trellet, Mikael
Gümüş, Zeynep H.
Costa, Joaquim
Bonvin, Alexandre M. J. J.
SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title_full SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title_fullStr SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title_full_unstemmed SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title_short SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
title_sort spoton: high accuracy identification of protein-protein interface hot-spots
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5556074/
https://www.ncbi.nlm.nih.gov/pubmed/28808256
http://dx.doi.org/10.1038/s41598-017-08321-2
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