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dc.contributor.authorVázquez, Pere-Pauen_US
dc.contributor.authorCasajus, Pedro Hermosillaen_US
dc.contributor.authorGuallar, Victoren_US
dc.contributor.authorEstrada, Jorgeen_US
dc.contributor.authorVinacua, Àlvaren_US
dc.contributor.editorJeffrey Heer and Heike Leitte and Timo Ropinskien_US
dc.date.accessioned2018-06-02T18:08:40Z
dc.date.available2018-06-02T18:08:40Z
dc.date.issued2018
dc.identifier.issn1467-8659
dc.identifier.urihttp://dx.doi.org/10.1111/cgf.13428
dc.identifier.urihttps://diglib.eg.org:443/handle/10.1111/cgf13428
dc.description.abstractThe analysis of protein-ligand interactions is complex because of the many factors at play. Most current methods for visual analysis provide this information in the form of simple 2D plots, which, besides being quite space hungry, often encode a low number of different properties. In this paper we present a system for compact 2D visualization of molecular simulations. It purposely omits most spatial information and presents physical information associated to single molecular components and their pairwise interactions through a set of 2D InfoVis tools with coordinated views, suitable interaction, and focus+context techniques to analyze large amounts of data. The system provides a wide range of motifs for elements such as protein secondary structures or hydrogen bond networks, and a set of tools for their interactive inspection, both for a single simulation and for comparing two different simulations. As a result, the analysis of protein-ligand interactions of Molecular Simulation trajectories is greatly facilitated.en_US
dc.publisherThe Eurographics Association and John Wiley & Sons Ltd.en_US
dc.subjectHuman
dc.subjectcentered computing
dc.subjectVisualization techniques
dc.subjectVisualization systems and tools
dc.titleVisual Analysis of Protein-ligand Interactionsen_US
dc.description.seriesinformationComputer Graphics Forum
dc.description.sectionheadersBiological Visualization
dc.description.volume37
dc.description.number3
dc.identifier.doi10.1111/cgf.13428
dc.identifier.pages391-402


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  • 37-Issue 3
    EuroVis 2018 - Conference Proceedings

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