About: Geometrical Detection of Pathways in Protein Structures Leading Among More Binding Sites

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In this paper, we present a novel algorithm for the detection of pathways connecting two or more specific user defined binding sites, which are deeply buried in a protein macromolecule. These pathways can play an important role in the protein reactivity and overall behavior. However, our new algorithm can be generalized and used for computation of pathways inside an arbitrary set of spheres in three-dimensional space, leading through an ordered set of user-defined sites. Our approach is based on the localized Voronoi diagram approach and the Delaunay triangulation. The greatest benefit of our approach is its independence on the size of the input data set. This is achieved by using only a subset of all atoms in the macromolecule in each phase. This substantially reduces the size of the processed space. The method can also be utilized for determination whether pathways wide and straight enough exist among determined binding sites. In this paper, we present a novel algorithm for the detection of pathways connecting two or more specific user defined binding sites, which are deeply buried in a protein macromolecule. These pathways can play an important role in the protein reactivity and overall behavior. However, our new algorithm can be generalized and used for computation of pathways inside an arbitrary set of spheres in three-dimensional space, leading through an ordered set of user-defined sites. Our approach is based on the localized Voronoi diagram approach and the Delaunay triangulation. The greatest benefit of our approach is its independence on the size of the input data set. This is achieved by using only a subset of all atoms in the macromolecule in each phase. This substantially reduces the size of the processed space. The method can also be utilized for determination whether pathways wide and straight enough exist among determined binding sites. (en)
Title	Geometrical Detection of Pathways in Protein Structures Leading Among More Binding Sites Geometrical Detection of Pathways in Protein Structures Leading Among More Binding Sites (en)
skos:prefLabel	Geometrical Detection of Pathways in Protein Structures Leading Among More Binding Sites Geometrical Detection of Pathways in Protein Structures Leading Among More Binding Sites (en)
skos:notation	RIV/00216224:14330/14:00074865!RIV15-MSM-14330___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(LG13010)
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Šustr, Vilém Kozlíková, Barbora Strnad, Ondřej Sochor, Jiří
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Fakulta informatiky
http://linked.open...dnocenehoVysledku	18262
http://linked.open...ai/riv/idVysledku	RIV/00216224:14330/14:00074865
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	protein; ribosome; tunnel; channel; active site; binding site; Voronoi diagram; Delaunay triangulation (en)
http://linked.open.../riv/klicoveSlovo	Voronoi diagram Delaunay triangulation channel protein tunnel active site binding site ribosome
http://linked.open...ontrolniKodProRIV	[400FC96A2EF3]
http://linked.open...v/mistoKonaniAkce	Chamonix, France
http://linked.open...i/riv/mistoVydani	Chamonix/France
http://linked.open...i/riv/nazevZdroje	BIOTECHNO 2014 : The Sixth International Conference on Bioinformatics, Biocomputational Systems and Biotechnologies
http://linked.open...in/vavai/riv/obor	IN
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Czech Republic representation in the European Research Consortium for Informatics and Mathematics (ERCIM)
http://linked.open...UplatneniVysledku	2014
http://linked.open...iv/tvurceVysledku	Kozlíková, Barbora Sochor, Jiří Strnad, Ondřej Šustr, Vilém
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2014-01-01 (xsd:date)
issn	2308-4383
number of pages	6 (xsd:int)
http://purl.org/ne...btex#hasPublisher	IARIA XPS Press
https://schema.org/isbn	9781612083353
http://localhost/t...ganizacniJednotka	14330

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