Pocket extraction on proteins via the Voronoi diagram of spheres

Cited 29 time in scopus
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dc.contributor.authorD Kim-
dc.contributor.authorC H Cho-
dc.contributor.authorY Cho-
dc.contributor.authorJ Ryu-
dc.contributor.authorJong Bhak-
dc.contributor.authorD S Kim-
dc.date.accessioned2017-04-19T09:09:51Z-
dc.date.available2017-04-19T09:09:51Z-
dc.date.issued2008-
dc.identifier.issn1093-3263-
dc.identifier.uri10.1016/j.jmgm.2007.10.002ko
dc.identifier.urihttps://oak.kribb.re.kr/handle/201005/8356-
dc.description.abstractProteins consist of atoms. Given a protein, the automatic recognition of depressed regions, called pockets, on the surface of proteins is important for protein-ligand docking and facilitates fast development of new drugs. Recently, computational approaches have emerged for recognizing pockets from the geometrical point of view. Presented in this paper is a geometric method for the pocket recognition which is based on the Voronoi diagram for atoms. Given a Voronoi diagram, the proposed algorithm transforms the atomic structure to meshes which contain the information of the proximity among atoms, and then recognizes depressions on the surface of a protein using the meshes.-
dc.publisherElsevier-
dc.titlePocket extraction on proteins via the Voronoi diagram of spheres-
dc.title.alternativePocket extraction on proteins via the Voronoi diagram of spheres-
dc.typeArticle-
dc.citation.titleJournal of Molecular Graphics & Modelling-
dc.citation.number7-
dc.citation.endPage1112-
dc.citation.startPage1104-
dc.citation.volume26-
dc.contributor.affiliatedAuthorJong Bhak-
dc.contributor.alternativeName김동욱-
dc.contributor.alternativeName조철형-
dc.contributor.alternativeName조영송-
dc.contributor.alternativeName유중현-
dc.contributor.alternativeName박종화-
dc.contributor.alternativeName김덕수-
dc.identifier.bibliographicCitationJournal of Molecular Graphics & Modelling, vol. 26, no. 7, pp. 1104-1112-
dc.identifier.doi10.1016/j.jmgm.2007.10.002-
dc.subject.keywordBinding site-
dc.subject.keywordBlending mesh-
dc.subject.keywordDocking-
dc.subject.keywordPocket-
dc.subject.keywordProtein-
dc.subject.keywordProtein surface-
dc.subject.keywordVoronoi diagram of atoms-
dc.subject.localBinding site-
dc.subject.localBlending mesh-
dc.subject.localdocking-
dc.subject.localDocking-
dc.subject.localPocket-
dc.subject.localpocket-
dc.subject.localProteins-
dc.subject.localproteins-
dc.subject.localprotein-
dc.subject.localProtein-
dc.subject.localProtein surface-
dc.subject.localVoronoi diagram of atoms-
dc.description.journalClassY-
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