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dc.contributor.authorFurmanová, Katarínaen_US
dc.contributor.authorKozlíková, Barboraen_US
dc.contributor.authorVonásek, Vojtěchen_US
dc.contributor.authorByška, Janen_US
dc.contributor.editorKozlíková, Barbora and Linsen, Lars and Vázquez, Pere-Pau and Lawonn, Kai and Raidou, Renata Georgiaen_US
dc.date.accessioned2019-09-03T13:49:08Z
dc.date.available2019-09-03T13:49:08Z
dc.date.issued2019
dc.identifier.isbn978-3-03868-081-9
dc.identifier.issn2070-5786
dc.identifier.urihttps://doi.org/10.2312/vcbm.20191238
dc.identifier.urihttps://diglib.eg.org:443/handle/10.2312/vcbm20191238
dc.description.abstractMolecular docking is one of the key mechanisms for predicting possible interactions between ligands and proteins. This highly complex task can be simulated by several software tools, providing the biochemists with possible ligand trajectories, which have to be subsequently explored and evaluated for their biochemical relevance. This paper focuses on aiding this exploration process by introducing DockVis visual analysis tool. DockVis operates primarily with the multivariate output data from one of the latest available tools for molecular docking, CaverDock. CaverDock output consists of several parameters and properties, which have to be subsequently studied and understood. DockVis was designed in tight collaboration with protein engineers using the CaverDock tool. However, we believe that the concept of DockVis can be extended to any other molecular docking tool providing the users with corresponding computation results.en_US
dc.publisherThe Eurographics Associationen_US
dc.subjectHuman
dc.subjectcentered computing
dc.subjectScientific visualization
dc.subjectVisualization systems and tools
dc.titleDockVis: Visual Analysis of Molecular Docking Dataen_US
dc.description.seriesinformationEurographics Workshop on Visual Computing for Biology and Medicine
dc.description.sectionheadersMolecular Visualization (I)
dc.identifier.doi10.2312/vcbm.20191238
dc.identifier.pages113-122


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