CLAUDIO: Automated structural analysis of cross-linking data
Alexander Röhl, Eugen Netz, Oliver Kohlbacher, Hadeer Elhabashy- Computational Mathematics
- Computational Theory and Mathematics
- Computer Science Applications
- Molecular Biology
- Biochemistry
- Statistics and Probability
Abstract
Motivation
Cross-linking mass spectrometry has made remarkable advancements in the high-throughput characterization of protein structures and interactions. The resulting pairs of cross-linked peptides typically require geometric assessment and validation, given the availability of their corresponding structures.
Results
CLAUDIO is an open-source software tool designed for the automated analysis and validation of different varieties of large-scale cross-linking experiments. Many of the otherwise manual processes for structural validation (i.e. structure retrieval and mapping) are performed fully automatically to simplify and accelerate the data interpretation process. Additionally, CLAUDIO has the ability to remap intra-protein links as inter-protein links and discover evidence for homo-multimers.
Availability
CLAUDIO is available as open-source software under the MIT license at https://github.com/KohlbacherLab/CLAUDIO.
Supplementary information
Supplementary material are available at Bioinformatics online.