Title
Fast Structural Alignment Of Biomolecules Using A Hash Table, N-Grams And String Descriptors
Abstract
This work presents a generalized approach for the fast structural alignment of thousands of macromolecular structures. The method uses string representations of a macromolecular structure and a hash table that stores n-grams of a certain size for searching. To this end, macromolecular structure-to-string translators were implemented for protein and RNA structures. A query against the index is performed in two hierarchical steps to unite speed and precision. In the first step the query structure is translated into n-grams, and all target structures containing these n-grams are retrieved from the hash table. In the second step all corresponding n-grams of the query and each target structure are subsequently aligned, and after each alignment a score is calculated based on the matching n-grams of query and target. The extendable framework enables the user to query and structurally align thousands of protein and RNA structures on a commodity machine and is available as open source from http://lajolla.sf.net.
Year
DOI
Venue
2009
10.3390/a2020692
ALGORITHMS
Keywords
Field
DocType
Structural alignment, protein, RNA, hash table, n-gram, torsion angles
Structural alignment,Computer science,Rolling hash,Theoretical computer science,n-gram,Hash function,Macro,Hash table
Journal
Volume
Issue
Citations 
2
2
16
PageRank 
References 
Authors
0.80
19
7
Name
Order
Citations
PageRank
Raphael André Bauer1321.87
Kristian Rother221524.71
Peter Moor3160.80
Knut Reinert41020105.87
Thomas Steinke517815.49
Janusz M. Bujnicki635233.92
Robert Preissner769549.17