MolFind - Integrated Multi-Selection Schemes for Complex Molecular Structures

Simple item page
dc.contributor.authorSkånberg, Robinen_US
dc.contributor.authorLinares, Mathieuen_US
dc.contributor.authorFalk, Martinen_US
dc.contributor.authorHotz, Ingriden_US
dc.contributor.authorYnnerman, Andersen_US
dc.contributor.editorByska, Jan and Krone, Michael and Sommer, Björnen_US
dc.date.accessioned2019-06-02T18:25:26Z
dc.date.available2019-06-02T18:25:26Z
dc.date.issued2019
dc.description.abstractSelecting components and observing changes of properties and configurations over time is an important step in the analysis of molecular dynamics (MD) data. In this paper, we present a selection tool combining text-based queries with spatial selection and filtering. Morphological operations facilitate refinement of the selection by growth operators, e.g. across covalent bonds. The combination of different selection paradigms enables flexible and intuitive analysis on different levels of detail and visual depiction of molecular events. Immediate visual feedback during interactions ensures a smooth exploration of the data. We demonstrate the utility of our selection framework by analyzing temporal changes in the secondary structure of poly-alanine and the binding of aspirin to phospholipase A2.en_US
dc.description.sectionheadersSession 2
dc.description.seriesinformationWorkshop on Molecular Graphics and Visual Analysis of Molecular Data
dc.identifier.doi10.2312/molva.20191096
dc.identifier.isbn978-3-03868-085-7
dc.identifier.pages17-21
dc.identifier.urihttps://doi.org/10.2312/molva.20191096
dc.identifier.urihttps://diglib.eg.org:443/handle/10.2312/molva20191096
dc.publisherThe Eurographics Associationen_US
dc.titleMolFind - Integrated Multi-Selection Schemes for Complex Molecular Structuresen_US
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
017-021.pdf
Size:
12.96 MB
Format:
Adobe Portable Document Format
Download
Collections
MolVa: Workshop on Molecular Graphics and Visual Analysis of Molecular Data 2019