D 2013

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

BYŠKA, Jan, Adam JURČÍK and Jiří SOCHOR

Basic information

Original name

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

Name in Czech

Geometrické algoritmy pro detekci asymetrických tunelů v proteinech

Authors

BYŠKA, Jan (203 Czech Republic, guarantor, belonging to the institution), Adam JURČÍK (203 Czech Republic, belonging to the institution) and Jiří SOCHOR (203 Czech Republic, belonging to the institution)

Edition

Germany, TPCG 2013, p. 17-24, 8 pp. 2013

Publisher

Eurographics Association

Other information

Language

English

Type of outcome

Stať ve sborníku

Field of Study

10201 Computer sciences, information science, bioinformatics

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

Publication form

printed version "print"

RIV identification code

RIV/00216224:14330/13:00069322

Organization unit

Faculty of Informatics

ISBN

978-3-905673-98-2

Keywords (in Czech)

voxely; protein; tunel; vizualizace

Keywords in English

voxels;protein; tunnel; computational geometry; visualization

Tags

International impact, Reviewed
Změněno: 27/11/2013 09:45, prof. Ing. Jiří Sochor, CSc.

Abstract

V originále

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.

Links

LG13010, research and development project
Name: Zastoupení ČR v European Research Consortium for Informatics and Mathematics (Acronym: ERCIM-CZ)
Investor: Ministry of Education, Youth and Sports of the CR
MUNI/A/0750/2012, interní kód MU
Name: Vyzkum FI v oblastech aplikovane informatiky (Acronym: FI_Apl_Inf_2013)
Investor: Masaryk University, Category A