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Xwalk: Computing and Visualizing Distances in Cross-linking Experiments.

Type Information
Nr 24 (Research article)
Authors Kahraman, Abdullah; Malmström, Lars; Aebersold, Ruedi
Title Xwalk: Computing and Visualizing Distances in Cross-linking Experiments.
Journal Bioinformatics (2011) 27 2163-4
DOI 10.1093/bioinformatics/btr348
Citations 118 citations (journal impact: 5.47)
Abstract MOTIVATION Chemical cross-linking of proteins or protein complexes and the mass spectrometry based localization of the cross-linked amino acids in the peptide sequences is a powerful method for generating distance restraints on the substrates topology. RESULTS Here we introduce the algorithm Xwalk for predicting and validating these cross-links on existing protein structures. Xwalk calculates and displays non-linear distances between chemically cross-linked amino acids on protein surfaces while mimicking the flexibility and non-linearity of cross-linker molecules. It returns a Solvent Accessible Surface Distance which corresponds to the length of the shortest path between two amino acids where the path leads through solvent occupied space without penetrating the protein surface. AVAILABILITY Xwalk is freely available as a webserver or standalone JAVA application at httpwww.xwalk.org. CONTACT abdullahimsb.biol.ethz.ch aebersoldimsb.biol.ethz.ch SUPPLEMENTARY INFORMATION The Xwalk-algorithm is available as supplementary data at Bioinformatics online.
Synopsis This paper describes an algorithm and a web service to compute solvent accessible surface distances between amino acids in protein structures.