About: Computation of more channels in protein molecules

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the process of designing drugs it is crucial to perform various analyses of cavities and channels in protein molecules. Chemists also require that more than one ideal channel be computed in a static protein molecule. Three basic approaches for computation of more than a single channel were introduced in recent publications. However, these approaches have several disadvantages. In this paper we propose a new adaptive method for computation of more channels. This new method is piloted on a real data and results are compared with channels identified by chemists as relevant. The comparison indicates that this method is a significant improvement over previous methods, as the method computes less number of similar and biochemically insignificant channels. In the process of designing drugs it is crucial to perform various analyses of cavities and channels in protein molecules. Chemists also require that more than one ideal channel be computed in a static protein molecule. Three basic approaches for computation of more than a single channel were introduced in recent publications. However, these approaches have several disadvantages. In this paper we propose a new adaptive method for computation of more channels. This new method is piloted on a real data and results are compared with channels identified by chemists as relevant. The comparison indicates that this method is a significant improvement over previous methods, as the method computes less number of similar and biochemically insignificant channels. (en)
Title	Computation of more channels in protein molecules Computation of more channels in protein molecules (en)
skos:prefLabel	Computation of more channels in protein molecules Computation of more channels in protein molecules (en)
skos:notation	RIV/00216224:14330/08:00024968!RIV10-GA0-14330___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GA201/07/0927), P(LC06008)
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Medek, Petr Beneš, Petr 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	360848
http://linked.open...ai/riv/idVysledku	RIV/00216224:14330/08:00024968
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	more channels; channel computation; protein; molecule (en)
http://linked.open.../riv/klicoveSlovo	molecule protein channel computation more channels
http://linked.open...ontrolniKodProRIV	[C08C0168B4B9]
http://linked.open...v/mistoKonaniAkce	Delft, Netherlands
http://linked.open...i/riv/mistoVydani	Aire-la-Ville, Switzerland
http://linked.open...i/riv/nazevZdroje	Proceedings of Visual Computing for Biomedicine
http://linked.open...in/vavai/riv/obor	JC
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Center of Computer Graphics Visualization of protein structures
http://linked.open...UplatneniVysledku	2008
http://linked.open...iv/tvurceVysledku	Beneš, Petr Medek, Petr Sochor, Jiří
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2008-10-06 (xsd:date)
number of pages	7 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Eurographics Association
https://schema.org/isbn	978-3-905674-13-2
http://localhost/t...ganizacniJednotka	14330
is http://linked.open...avai/riv/vysledek of	Computation of more channels in protein molecules Computation of more channels in protein molecules Computation of more channels in protein molecules Computation of more channels in protein molecules

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