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dc.contributor.authorComin, Matteo
dc.contributor.authorGuerra, Concettina
dc.contributor.authorDellaert, Frank
dc.date.accessioned2011-04-21T21:01:45Z
dc.date.available2011-04-21T21:01:45Z
dc.date.issued2009
dc.identifier.citationComin, M., Guerra, C., & Dellaert, F. (2009). “Binding Balls: Fast Detection of Binding Sites Using a Property of Spherical Fourier Transform”. Journal of Computational Biology. November 2009, 16(11): 1577-1591.en_US
dc.identifier.issn1066-5277
dc.identifier.urihttp://hdl.handle.net/1853/38683
dc.descriptionThis is a copy of an article published in the Journal of Computational Biology ©2009 ©Mary Ann Liebert, Inc.; Journal of Computational Biology is available online at: http://www.liebertonline.com.en_US
dc.description.abstractThe functional prediction of proteins is one of the most challenging problems in modern biology. An established computational technique involves the identification of threedimensional local similarities in proteins. In this article, we present a novel method to quickly identify promising binding sites. Our aim is to efficiently detect putative binding sites without explicitly aligning them. Using the theory of Spherical Harmonics, a candidate binding site is modeled as a Binding Ball. The Binding Ball signature, offered by the Spherical Fourier coefficients, can be efficiently used for a fast detection of putative regions. Our contribution includes the Binding Ball modeling and the definition of a scoring function that does not require aligning candidate regions. Our scoring function can be computed efficiently using a property of Spherical Fourier transform (SFT) that avoids the evaluation of all alignments. Experiments on different ligands show good discrimination power when searching for known binding sites. Moreover, we prove that this method can save up to 40% in time compared with traditional approaches.en_US
dc.language.isoen_USen_US
dc.publisherGeorgia Institute of Technologyen_US
dc.subjectAlgorithmsen_US
dc.subjectAlignmenten_US
dc.subjectProtein motifsen_US
dc.subjectProtein structureen_US
dc.titleBinding Balls: Fast Detection of Binding Sites Using a Property of Spherical Fourier Transformen_US
dc.typeArticleen_US
dc.contributor.corporatenameGeorgia Institute of Technology. Center for Robotics and Intelligent Machines
dc.contributor.corporatenameGeorgia Institute of Technology. College of Computing
dc.contributor.corporatenameUniversità di Padova.Dipartimento di ingegneria dell'informazione
dc.publisher.originalMary Ann Liebert, Inc


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