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Bioinformatics Advance Access published online on August 13, 2008
Bioinformatics, doi:10.1093/bioinformatics/btn423
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© The Author (2008). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

PRODECOMPv3: Decompositions of NMR projections for protein backbone and side-chain assignments, and structural studies

Doroteya K. Staykova , Jonas Fredriksson and Martin Billeter *

Department of Chemistry, P.O. Box 462, University of Gothenburg, 405 30 Gothenburg, Sweden

*To whom correspondence should be addressed. Martin Billeter, E-mail: martin.billeter{at}chem.gu.se


  Abstract

Summary: PRODECOMP (PROjection DECOMPosition) is an implementation of a multi-way decomposition algorithm for the analysis of 2-dimensional projections of high-dimensional nuclear magnetic resonance spectra. The newest version, PRODECOMPv3, features a dramatic speed-up, more reliable decompositions, a substantial reduction in memory demands, a new graphical user interface, and integration into third-party software. These improvements extend the applicability of decompositions to novel types of NMR data on proteins, yielding backbone and side-chain assignments as well as structural information, and therewith enabling complete characterizations of proteins.

Availability: Program, short manual and an example calculation are freely available at www2.chem.gu.se/bcbp/nmr/prodecomp.html

Contact: doroteya{at}chem.gu.se, martin.billeter{at}chem.gu.se

Associate Editor: Prof. Anna Tramontano

Received on June 23, 2008; revised on August 6, 2008; accepted on August 7, 2008

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