DSpace
 

DSpace at IIT Bombay >
IITB Publications >
Article >

Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/10337

Title: A geometric invariant-based framework for the analysis of protein conformational space
Authors: TENDULKAR, AV
SOHONI, MA
OGUNNAIKE, B
WANGIKAR, PP
Keywords: theoretic approach
globular-proteins
classification
families
homology
motifs
Issue Date: 2005
Publisher: OXFORD UNIV PRESS
Citation: BIOINFORMATICS, 21(18), 3622-3628
Abstract: Motivation: Characterization of the restricted nature of the protein local conformational space has remained a challenge, thereby necessitating a computationally expensive conformational search in protein modeling. Moreover, owing to the lack of unilateral structural descriptors, conventional data mining techniques, such as clustering and classification, have not been applied in protein structure analysis. Results: We first map the local conformations in a fixed dimensional space by using a carefully selected suite of geometric invariants (GIs) and then reduce the number of dimensions via principal component analysis (PCA). Distribution of the conformations in the space spanned by the first four PCs is visualized as a set of conditional bivariate probability distribution plots, where the peaks correspond to the preferred conformations. The locations of the different canonical structures in the PC-space have been interpreted in the context of the weights of the GIs to the first four PCs. Clustering of the available conformations reveals that the number of preferred local conformations is several orders of magnitude smaller than that suggested previously.
URI: http://dx.doi.org/10.1093/bioinformatics/bti621
http://dspace.library.iitb.ac.in/xmlui/handle/10054/10337
http://hdl.handle.net/10054/10337
ISSN: 1367-4803
Appears in Collections:Article

Files in This Item:

There are no files associated with this item.

View Statistics

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

 

Valid XHTML 1.0! DSpace Software Copyright © 2002-2010  Duraspace - Feedback