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Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry.

ABSTRACT: 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.

SUBMITTER: Bullock JMA

PROVIDER: S-EPMC6184817 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Jwalk and MNXL web server: model validation using restraints from crosslinking mass spectrometry.

Bullock Joshua M A JMA Thalassinos Konstantinos K Topf Maya M

Bioinformatics (Oxford, England) 20181001 20

<h4>Motivation</h4>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.<h4>Results</h4>Here, we present the Jwalk and MNXL webservers, which streamline the process ...[more]

PMID: 29741581

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