Unfolding and Interactive Exploration of Protein Tunnels and their Dynamics.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F16%3A00090614" target="_blank" >RIV/00216224:14330/16:00090614 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.2312/vcbm.20161265" target="_blank" >http://dx.doi.org/10.2312/vcbm.20161265</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2312/vcbm.20161265" target="_blank" >10.2312/vcbm.20161265</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Unfolding and Interactive Exploration of Protein Tunnels and their Dynamics.

Popis výsledku v původním jazyce

The presence of tunnels in protein structures substantially influences their reactivity with other molecules. Therefore, studying their properties and changes over time has been in the scope of biochemists for decades. In this paper we introduce a novel approach for the comparative visualization and exploration of ensembles of tunnels. Our goal is to overcome occlusion problems with traditional tunnel representations while providing users a quick way to navigate through the input dataset and to identify potentially interesting tunnels. First, we unfold the input tunnels to a 2D representation enabling to observe the mutual position of amino acids forming the tunnel surface and the amount of surface they influence. These 2D images are subsequently described by image moments commonly used in image processing. This way we are able to detect similarities and outliers in the dataset, which are visualized as clusters in a scatterplot graph.

Název v anglickém jazyce

Unfolding and Interactive Exploration of Protein Tunnels and their Dynamics.

Popis výsledku anglicky

The presence of tunnels in protein structures substantially influences their reactivity with other molecules. Therefore, studying their properties and changes over time has been in the scope of biochemists for decades. In this paper we introduce a novel approach for the comparative visualization and exploration of ensembles of tunnels. Our goal is to overcome occlusion problems with traditional tunnel representations while providing users a quick way to navigate through the input dataset and to identify potentially interesting tunnels. First, we unfold the input tunnels to a 2D representation enabling to observe the mutual position of amino acids forming the tunnel surface and the amount of surface they influence. These 2D images are subsequently described by image moments commonly used in image processing. This way we are able to detect similarities and outliers in the dataset, which are visualized as clusters in a scatterplot graph.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

—

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název statě ve sborníku

EG VCBM 2016 Eurographics Workshop on Visual Computing for Biology and Medicine

ISBN

9783038680109

ISSN

2070-5786

e-ISSN

—

Počet stran výsledku

10

Strana od-do

0-0

Název nakladatele

The Eurographics Association

Místo vydání

Bergen

Místo konání akce

Bergen, Norway

Datum konání akce

1. 1. 2016

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

—