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PEDS Advance Access originally published online on June 8, 2007
Protein Engineering Design and Selection 2007 20(7):347-351; doi:10.1093/protein/gzm027
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© The Author 2007. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oxfordjournals.org

Amino acid quantitative structure property relationship database: a web-based platform for quantitative investigations of amino acids

Yi Lu1, Blazej Bulka2, Marie desJardins2 and Stephen J. Freeland1,3

1Departments of Biological Sciences 2Computer Science and Electrical Engineering, University of Maryland, Baltimore County, 1000 Hilltop Circle, Baltimore, MD 21250, USA

3 To whom correspondence should be addressed. E-mail: freeland{at}umbc.edu

Here, we present the AA-QSPR Db (Amino Acid Quantitative Structure Property Relationship Database): a novel, freely available web-resource of data pertaining to amino acids, both engineered and naturally occurring. In addition to presenting fundamental molecular descriptors of size, charge and hydrophobicity, it also includes online visualization tools for users to perform instant, interactive analyses of amino acid sub-sets in which they are interested. The database has been designed with extensible markup language technology to provide a flexible structure, suitable for future development. In addition to providing easy access for queries by external computers, it also offers a user-friendly web-based interface that facilitates human interactions (submission, storage and retrieval of amino acid data) and an associated e-forum that encourages users to question and discuss current and future database contents.

Keywords: amino acids/database/QSPR/XML

Received January 1, 2007; revised April 9, 2007; accepted May 17, 2007.


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