Extraction of Robust Voids and Pockets in Proteins
| dc.contributor.author | Sridharamurthy, Raghavendra | en_US |
| dc.contributor.author | Doraiswamy, Harish | en_US |
| dc.contributor.author | Patel, Siddharth | en_US |
| dc.contributor.author | Varadarajan, Raghavan | en_US |
| dc.contributor.author | Natarajan, Vijay | en_US |
| dc.contributor.editor | Mario Hlawitschka and Tino Weinkauf | en_US |
| dc.date.accessioned | 2014-01-26T10:52:44Z | |
| dc.date.available | 2014-01-26T10:52:44Z | |
| dc.date.issued | 2013 | en_US |
| dc.description.abstract | Voids and pockets in a protein refer to empty spaces that are enclosed by the protein molecule. Existing methods to compute, measure, and visualize the voids and pockets in a protein molecule are sensitive to inaccuracies in the empirically determined atomic radii. This paper presents a topological framework that enables robust computation and visualization of these structures. Given a fixed set of atoms, voids and pockets are represented as subsets of the weighted Delaunay triangulation of atom centers. A novel notion of (e;p)-stable voids helps identify voids that are stable even after perturbing the atom radii by a small value. An efficient method is described to compute these stable voids for a given input pair of values (e;p). | en_US |
| dc.description.seriesinformation | EuroVis - Short Papers | en_US |
| dc.identifier.isbn | 978-3-905673-99-9 | en_US |
| dc.identifier.uri | https://doi.org/10.2312/PE.EuroVisShort.EuroVisShort2013.067-071 | en_US |
| dc.publisher | The Eurographics Association | en_US |
| dc.subject | I.3.6 [Computer Graphics] | en_US |
| dc.subject | Computer Graphics | en_US |
| dc.subject | Methodology and Techniques | en_US |
| dc.title | Extraction of Robust Voids and Pockets in Proteins | en_US |