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Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry
MOTIVATION: Crosslinking Mass Spectrometry generates restraints that can be used to model proteins and protein complexes. Previously, we have developed two methods, to help users achieve better modelling performance from their crosslinking restraints: Jwalk, to estimate solvent accessible distances...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6184817/ https://www.ncbi.nlm.nih.gov/pubmed/29741581 http://dx.doi.org/10.1093/bioinformatics/bty366 |
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author | Bullock, Joshua M A Thalassinos, Konstantinos Topf, Maya |
author_facet | Bullock, Joshua M A Thalassinos, Konstantinos Topf, Maya |
author_sort | Bullock, Joshua M A |
collection | PubMed |
description | MOTIVATION: Crosslinking Mass Spectrometry generates restraints that can be used to model proteins and protein complexes. Previously, we have developed two methods, to help users achieve better modelling performance from their crosslinking restraints: Jwalk, to estimate solvent accessible distances between crosslinked residues and MNXL, to assess the quality of the models based on these distances. RESULTS: Here, we present the Jwalk and MNXL webservers, which streamline the process of validating monomeric protein models using restraints from crosslinks. We demonstrate this by using the MNXL server to filter models made of varying quality, selecting the most native-like. AVAILABILITY AND IMPLEMENTATION: The webserver and source code are freely available from jwalk.ismb.lon.ac.uk and mnxl.ismb.lon.ac.uk. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online. |
format | Online Article Text |
id | pubmed-6184817 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
spelling | pubmed-61848172018-10-18 Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry Bullock, Joshua M A Thalassinos, Konstantinos Topf, Maya Bioinformatics Applications Notes MOTIVATION: Crosslinking Mass Spectrometry generates restraints that can be used to model proteins and protein complexes. Previously, we have developed two methods, to help users achieve better modelling performance from their crosslinking restraints: Jwalk, to estimate solvent accessible distances between crosslinked residues and MNXL, to assess the quality of the models based on these distances. RESULTS: Here, we present the Jwalk and MNXL webservers, which streamline the process of validating monomeric protein models using restraints from crosslinks. We demonstrate this by using the MNXL server to filter models made of varying quality, selecting the most native-like. AVAILABILITY AND IMPLEMENTATION: The webserver and source code are freely available from jwalk.ismb.lon.ac.uk and mnxl.ismb.lon.ac.uk. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online. Oxford University Press 2018-10-15 2018-05-07 /pmc/articles/PMC6184817/ /pubmed/29741581 http://dx.doi.org/10.1093/bioinformatics/bty366 Text en © The Author(s) 2018. Published by Oxford University Press. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Applications Notes Bullock, Joshua M A Thalassinos, Konstantinos Topf, Maya Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title | Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title_full | Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title_fullStr | Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title_full_unstemmed | Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title_short | Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry |
title_sort | jwalk and mnxl web server: model validation using restraints from crosslinking mass spectrometry |
topic | Applications Notes |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6184817/ https://www.ncbi.nlm.nih.gov/pubmed/29741581 http://dx.doi.org/10.1093/bioinformatics/bty366 |
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