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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...

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Detalles Bibliográficos
Autores principales: Bullock, Joshua M A, Thalassinos, Konstantinos, Topf, Maya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2018
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.
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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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