Computation of More Channels in Protein Molecules

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dc.contributor.authorBene , Petren_US
dc.contributor.authorMedek, Petren_US
dc.contributor.authorSochor, Jirien_US
dc.contributor.editorCharl Botha and Gordon Kindlmann and Wiro Niessen and Bernhard Preimen_US
dc.date.accessioned2014-01-29T17:02:08Z
dc.date.available2014-01-29T17:02:08Z
dc.date.issued2008en_US
dc.description.abstractIn 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_US
dc.description.seriesinformationEurographics Workshop on Visual Computing for Biomedicineen_US
dc.identifier.isbn978-3-905674-13-2en_US
dc.identifier.issn2070-5786en_US
dc.identifier.urihttps://doi.org/10.2312/VCBM/VCBM08/045-051en_US
dc.publisherThe Eurographics Associationen_US
dc.subjectCategories and Subject Descriptors (according to ACM CCS): I.3.5 [Computer Graphics]: Geometric algorithms, languages, and systemsen_US
dc.titleComputation of More Channels in Protein Moleculesen_US
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VCBM 08: Eurographics Workshop on Visual Computing for Biomedicine