Molecular Surface Maps
| Autor: | Guido Reina, Tobias Kulschewski, Thomas Ertl, Florian Friess, Michael Krone, Katrin Scharnowski, Jürgen Pleiss, Silvia Fademrecht |
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| Rok vydání: | 2016 |
| Předmět: |
0301 basic medicine
Surface (mathematics) business.industry Surface map Computer science Representation (systemics) 020207 software engineering Pattern recognition 02 engineering and technology Computer Graphics and Computer-Aided Design Visualization 03 medical and health sciences 030104 developmental biology Data visualization Face (geometry) Computer graphics (images) Signal Processing 0202 electrical engineering electronic engineering information engineering Molecule Computer Vision and Pattern Recognition Artificial intelligence business Software World map |
| Zdroj: | IEEE transactions on visualization and computer graphics. 23(1) |
| ISSN: | 1941-0506 |
| Popis: | We present Molecular Surface Maps, a novel, view-independent, and concise representation for molecular surfaces. It transfers the well-known world map metaphor to molecular visualization. Our application maps the complex molecular surface to a simple 2D representation through a spherical intermediate, the Molecular Surface Globe. The Molecular Surface Map concisely shows arbitrary attributes of the original molecular surface, such as biochemical properties or geometrical features. This results in an intuitive overview, which allows researchers to assess all molecular surface attributes at a glance. Our representation can be used as a visual summarization of a molecule's interface with its environment. In particular, Molecular Surface Maps simplify the analysis and comparison of different data sets or points in time. Furthermore, the map representation can be used in a Space-time Cube to analyze time-dependent data from molecular simulations without the need for animation. We show the feasibility of Molecular Surface Maps for different typical analysis tasks of biomolecular data. |
| Databáze: | OpenAIRE |
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