AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F16%3A00089099" target="_blank" >RIV/00216224:14330/16:00089099 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1109/TVCG.2015.2467434" target="_blank" >http://dx.doi.org/10.1109/TVCG.2015.2467434</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1109/TVCG.2015.2467434" target="_blank" >10.1109/TVCG.2015.2467434</a>

Jazyk výsledku

angličtina

Název v původním jazyce

AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics

Popis výsledku v původním jazyce

In this paper we propose a novel method for the interactive exploration of protein tunnels. The basic principle of our approach is that we entirely abstract from the 3D/4D space the simulated phenomenon is embedded in. A complex 3D structure and its curvature information is represented only by a straightened tunnel centerline and its width profile. This representation focuses on a key aspect of the studied geometry and frees up graphical estate to key chemical and physical properties represented by surrounding amino acids. The method shows the detailed tunnel profile and its temporal aggregation. The profile is interactively linked with a visual overview of all amino acids which are lining the tunnel over time. In this overview, each amino acid is represented by a set of colored lines depicting the spatial and temporal impact of the amino acid on the corresponding tunnel. This representation clearly shows the importance of amino acids with respect to selected criteria.

Název v anglickém jazyce

AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics

Popis výsledku anglicky

In this paper we propose a novel method for the interactive exploration of protein tunnels. The basic principle of our approach is that we entirely abstract from the 3D/4D space the simulated phenomenon is embedded in. A complex 3D structure and its curvature information is represented only by a straightened tunnel centerline and its width profile. This representation focuses on a key aspect of the studied geometry and frees up graphical estate to key chemical and physical properties represented by surrounding amino acids. The method shows the detailed tunnel profile and its temporal aggregation. The profile is interactively linked with a visual overview of all amino acids which are lining the tunnel over time. In this overview, each amino acid is represented by a set of colored lines depicting the spatial and temporal impact of the amino acid on the corresponding tunnel. This representation clearly shows the importance of amino acids with respect to selected criteria.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

<a href="/cs/project/7AMB15AT018" target="_blank" >7AMB15AT018: Vizualizace a interaktivní prozkoumávání dynamického chování velkých molekulárních systémů</a><br>

Návaznosti

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

IEEE Transactions on Visualization and Computer Graphics

ISSN

1077-2626

e-ISSN

—

Svazek periodika

22

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

747-756

Kód UT WoS článku

000364043400080

EID výsledku v databázi Scopus

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