Vizualizace tunelů v molekulách proteinů

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F07%3A00020597" target="_blank" >RIV/00216224:14330/07:00020597 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Visualization of Tunnels in Protein Molecules

Popis výsledku v původním jazyce

This paper presents two novel techniques for visualization of tunnels in complex molecules of proteins. Long-term research in the field of protein analysis proved that the reactivity of the protein molecule depends on the presence of tunnels. These structures are very important mainly in the process of finding new pharmaceuticals. Visualization of a tunnel is the next very important step after the analysis because it enables the biochemists to determine the crucial regions of the tunnel, which can havea substantial effect in the process of designing new medication. Previous methods for the visualization of tunnels define a tunnel as a set of intersecting spheres. Our approach exploits tetrahedra obtained from the process of tunnel analysis based on the Voronoi diagrams and Delaunay tetrahedrization. We proposed two novel algorithms that visualize a tunnel as a surface derived fromthe tetrahedra, which form the boundary constraint of the tunnel in the space of the molecule.

Název v anglickém jazyce

Visualization of Tunnels in Protein Molecules

Popis výsledku anglicky

This paper presents two novel techniques for visualization of tunnels in complex molecules of proteins. Long-term research in the field of protein analysis proved that the reactivity of the protein molecule depends on the presence of tunnels. These structures are very important mainly in the process of finding new pharmaceuticals. Visualization of a tunnel is the next very important step after the analysis because it enables the biochemists to determine the crucial regions of the tunnel, which can havea substantial effect in the process of designing new medication. Previous methods for the visualization of tunnels define a tunnel as a set of intersecting spheres. Our approach exploits tetrahedra obtained from the process of tunnel analysis based on the Voronoi diagrams and Delaunay tetrahedrization. We proposed two novel algorithms that visualize a tunnel as a surface derived fromthe tetrahedra, which form the boundary constraint of the tunnel in the space of the molecule.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

—

Projekt

<a href="/cs/project/GA201%2F07%2F0927" target="_blank" >GA201/07/0927: Vizualizace proteinových struktur</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2007

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Computer graphics, virtual reality, visualisation and interaction in Africa AFRIGRAPH '07

ISBN

978-1-59593-906-7

ISSN

—

e-ISSN

—

Počet stran výsledku

8

Strana od-do

111-118

Název nakladatele

ACM

Místo vydání

Grahamstown, South Africa

Místo konání akce

Grahamstown, South Africa

Datum konání akce

1. 1. 2007

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

—