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A novel methodology for characterizing and predicting protein functional sites

dc.creatorBobadilla, Leonardospa
dc.creatorNino, Fernandospa
dc.creatorCepeda, Edilbertospa
dc.creatorPatarroyo, Manuel A.spa
dc.date.accessioned2020-08-28T15:49:58Z
dc.date.available2020-08-28T15:49:58Z
dc.date.created2008-01-02spa
dc.description.abstractSince there is a strong need for computational methods to predict and characterize functional sites for initial anno- tations of protein structures, a new methodology that relies on descriptions of the functional sites based on local prop- erties is proposed in this paper. This new approach is in- dependent of conserved residues and conserved residue ge- ometry and takes advantage of the large number of protein structures available to construct models using a machine learning approach. Particularly, the proposed method per- formed feature extraction, clustering and classification on a protein structure data set, and it was validated on metal- binding sites (Ca2+, Zn2+, Na+,K+, Mg2+, Mn2+, Cu2+, Fe3+, Hg2+, Cl-) present in a non-redundant PDB (a total of 11,959 metal-binding sites in 3,609 proteins). Feature extraction provided a description of critical fea- tures for each metal-binding site, which were consistent with prior knowledge about them. Furthermore, new in- sights about metal-binding site microenvironments could be provided by the descriptors thus obtained. Results using k-fold cross-validation for classification showed accuracy above 90%. Complete proteins were scanned using these classifiers to locate metal-binding sites. Keywords: Functional Genomics, Protein functional sites, Feature Extraction, Clustering, Classification, Metal- binding sites.eng
dc.format.mimetypeapplication/pdf
dc.identifier.doihttps://doi.org/10.1109/BIBM.2007.36
dc.identifier.issnISBN: 978-0-7695-3031-4
dc.identifier.urihttps://repository.urosario.edu.co/handle/10336/28870
dc.language.isoengspa
dc.publisherIEEEspa
dc.relation.citationEndPage354
dc.relation.citationStartPage349
dc.relation.citationTitle2007 IEEE International Conference on Bioinformatics and Biomedicine (BIBM 2007)
dc.relation.ispartofIEEE International Conference on Bioinformatics and Biomedicine (BIBM), ISBN: 978-0-7695-3031-4 (2007); pp. 349-354spa
dc.relation.urihttps://www.computer.org/csdl/proceedings-article/bibm/2007/30310349/12OmNBNM8Onspa
dc.rights.accesRightsinfo:eu-repo/semantics/restrictedAccess
dc.rights.accesoRestringido (Acceso a grupos específicos)spa
dc.source2007 IEEE International Conference on Bioinformatics and Biomedicine (BIBM 2007)spa
dc.source.instnameinstname:Universidad del Rosario
dc.source.reponamereponame:Repositorio Institucional EdocUR
dc.subject.keywordFunctional genomicsspa
dc.subject.keywordProtein functional sitesspa
dc.subject.keywordFeature extractionspa
dc.subject.keywordClusteringspa
dc.subject.keywordClassificationspa
dc.subject.keywordMetalbinding sitesspa
dc.titleA novel methodology for characterizing and predicting protein functional sitesspa
dc.title.TranslatedTitleUna metodología novedosa para caracterizar y predecir sitios funcionales de proteínasspa
dc.typebookParteng
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersion
dc.type.spaParte de librospa
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