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      PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence

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          Abstract

          Sequence-derived structural and physicochemical features have frequently been used in the development of statistical learning models for predicting proteins and peptides of different structural, functional and interaction profiles. PROFEAT ( Protein Features) is a web server for computing commonly-used structural and physicochemical features of proteins and peptides from amino acid sequence. It computes six feature groups composed of ten features that include 51 descriptors and 1447 descriptor values. The computed features include amino acid composition, dipeptide composition, normalized Moreau–Broto autocorrelation, Moran autocorrelation, Geary autocorrelation, sequence-order-coupling number, quasi-sequence-order descriptors and the composition, transition and distribution of various structural and physicochemical properties. In addition, it can also compute previous autocorrelations descriptors based on user-defined properties. Our computational algorithms were extensively tested and the computed protein features have been used in a number of published works for predicting proteins of functional classes, protein–protein interactions and MHC-binding peptides. PROFEAT is accessible at http://jing.cz3.nus.edu.sg/cgi-bin/prof/prof.cgi

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          Most cited references52

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          AAindex: amino acid index database.

          AAindex is a database of amino acid indices and amino acid mutation matrices. An amino acid index is a set of 20 numerical values representing various physico--chemical and biochemical properties of amino acids. An amino acid mutation matrix is generally 20 x 20 numerical values representing similarity of amino acids. AAindex consists of two sections: AAindex1 for the collection of published amino acid indices and AAindex2 for the collection of published amino acid mutation matrices. Each entry of either AAindex1 or AAindex2 consists of the definition, the reference information, a list of related entries in terms of the correlation coefficient and the actual data. The database may be accessed through the DBGET/LinkDB system at GenomeNet (http://www. genome.ad.jp/aaindex/ ) or may be downloaded by anonymous FTP (ftp://ftp.genome.ad.jp/db/genomenet/aaindex/ ).
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            The Contiguity Ratio and Statistical Mapping

            R C GEARY (1954)
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              Prediction of protein folding class using global description of amino acid sequence.

              We present a method for predicting protein folding class based on global protein chain description and a voting process. Selection of the best descriptors was achieved by a computer-simulated neural network trained on a data base consisting of 83 folding classes. Protein-chain descriptors include overall composition, transition, and distribution of amino acid attributes, such as relative hydrophobicity, predicted secondary structure, and predicted solvent exposure. Cross-validation testing was performed on 15 of the largest classes. The test shows that proteins were assigned to the correct class (correct positive prediction) with an average accuracy of 71.7%, whereas the inverse prediction of proteins as not belonging to a particular class (correct negative prediction) was 90-95% accurate. When tested on 254 structures used in this study, the top two predictions contained the correct class in 91% of the cases.
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                Author and article information

                Journal
                Nucleic Acids Res
                Nucleic Acids Research
                Nucleic Acids Research
                Oxford University Press
                0305-1048
                1362-4962
                01 July 2006
                01 July 2006
                14 July 2006
                : 34
                : Web Server issue
                : W32-W37
                Affiliations
                1Bioinformatics and Drug Design Group, Department of Computational Science, National University of Singapore Blk SOC1, Level 7, 3 Science Drive 2, Singapore 117543
                2College of Chemistry, Sichuan University Chengdu, 610064, P. R. China
                3Department of Biotechnology, Zhejiang University Hangzhou, 310029, P. R. China
                4Shanghai Center for Bioinformation Technology Shanghai, 201203, P. R. China
                Author notes
                *To whom correspondence should be addressed. Tel: +65 6516 6877; Fax: +65 6774 6756; Email: yzchen@ 123456cz3.nus.edu.sg
                Article
                10.1093/nar/gkl305
                1538821
                16845018
                205c888f-4137-4dd0-b05f-cf902dd7f88b
                © The Author 2006. Published by Oxford University Press. All rights reserved

                The online version of this article has been published under an open access model. Users are entitled to use, reproduce, disseminate, or display the open access version of this article for non-commercial purposes provided that: the original authorship is properly and fully attributed; the Journal and Oxford University Press are attributed as the original place of publication with the correct citation details given; if an article is subsequently reproduced or disseminated not in its entirety but only in part or as a derivative work this must be clearly indicated. For commercial re-use, please contact journals.permissions@oxfordjournals.org

                History
                : 23 December 2005
                : 17 January 2006
                : 10 April 2006
                Categories
                Article

                Genetics
                Genetics

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