Abstract | ||
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Motivation: Chemical cross-linking of proteins or protein complexes and the mass spectrometry-based localization of the cross-linked amino acids in peptide sequences is a powerful method for generating distance restraints on the substrate's 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. |
Year | DOI | Venue |
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2011 | 10.1093/bioinformatics/btr348 | BIOINFORMATICS |
Field | DocType | Volume |
Shortest path problem,Amino acid,Molecule,Computer science,Peptide,Accessible surface area,Bioinformatics,Peptide sequence,Protein structure,Web server | Journal | 27 |
Issue | ISSN | Citations |
15 | 1367-4803 | 2 |
PageRank | References | Authors |
0.63 | 0 | 3 |
Name | Order | Citations | PageRank |
---|---|---|---|
Abdullah Kahraman | 1 | 87 | 4.17 |
Lars Malmström | 2 | 65 | 7.19 |
Ruedi Aebersold | 3 | 146 | 14.45 |