Geometry-based Algorithm for Detection of Asymmetric Tunnels in Protein Molecules

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Date
2013
Journal Title
Journal ISSN
Volume Title
Publisher
The Eurographics Association
Abstract
We present a novel geometry-based method for computing asymmetric tunnels and voids in proteins, approximating their real shape with selected precision. Our method combines ideas from Voronoi and grid based approaches for protein analysis. We represent tunnels in protein using voxel data grid which allows us to store their shape more accurately. Our algorithm employs a tunnel skeleton computed using Voronoi diagram. The skeleton allows us to perform grid computation in a bounded space, with lower time and memory demands, and easily identify and measure individual tunnels.
Description

        
@inproceedings{
10.2312:LocalChapterEvents.TPCG.TPCG13.017-024
, booktitle = {
Theory and Practice of Computer Graphics
}, editor = {
Silvester Czanner and Wen Tang
}, title = {{
Geometry-based Algorithm for Detection of Asymmetric Tunnels in Protein Molecules
}}, author = {
Byska, Jan
 and
Jurcik, Adam
 and
Sochor, Jirí
}, year = {
2013
}, publisher = {
The Eurographics Association
}, ISBN = {
978-3-905673-98-2
}, DOI = {
10.2312/LocalChapterEvents.TPCG.TPCG13.017-024
} }
Citation