Advanced pairwise structure alignments of proteins and analysis of conformational changes.

TitleAdvanced pairwise structure alignments of proteins and analysis of conformational changes.
Publication TypeJournal Article
Year of Publication2002
AuthorsOchagavia, M. Elena, J. Richelle, and S. J. Wodak
JournalBioinformatics
Volume18
Issue4
Pagination637-40
Date Published2002 Apr
ISSN1367-4803
KeywordsAlgorithms, Carrier Proteins, Cluster Analysis, Imaging, Three-Dimensional, Internet, Models, Molecular, Pattern Recognition, Automated, Protein Conformation, Sequence Alignment, Sequence Analysis, Protein, User-Computer Interface
Abstract

MOTIVATION: Comparing the 3D structures of two proteins or analyzing the structural changes undergone by a protein upon ligand binding or when it crystallizes under different conditions, can be both tricky and tedious, especially when the two proteins are distantly related, or when the structural changes are complex. Readily accessible tools for performing these tasks automatically and reliably should therefore be welcome.RESULTS: We describe a web interface to several automatic procedures for performing pairwise structure superposition in a flexible manner, for detailed analyses of conformational changes and for displaying the results in a pictorial fashion.AVAILABILITY: This interface can be accessed at the Brussels and Cuba Web sites, respectively: http://www.ucmb.ulb.ac.be/SCMBB/Tools.htmland http://bio.cigb.edu.cu.
Alternate JournalBioinformatics
PubMed ID12016063