Visual Analysis of Biomolecular Cavities: State of the Art

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F16%3A00090248" target="_blank" >RIV/00216224:14330/16:00090248 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1111/cgf.12928" target="_blank" >http://dx.doi.org/10.1111/cgf.12928</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1111/cgf.12928" target="_blank" >10.1111/cgf.12928</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Visual Analysis of Biomolecular Cavities: State of the Art

Popis výsledku v původním jazyce

In this report we review and structure the branch of molecular visualization that is concerned with the visual analysis of cavities in macromolecular protein structures. First the necessary background, the domain terminology, and the goals of analytical reasoning are introduced. Based on a comprehensive collection of relevant research works, we present a novel classification for cavity detection approaches and structure them into four distinct classes: grid-based, Voronoi-based, surface-based, and probe-based methods. The subclasses are then formed by their combinations. We match these approaches with corresponding visualization technologies starting with direct 3D visualization, followed with non-spatial visualization techniques that for example abstract the interactions between structures into a relational graph, straighten the cavity of interest to see its profile in one view, or aggregate the time sequence into a single contour plot.

Název v anglickém jazyce

Visual Analysis of Biomolecular Cavities: State of the Art

Popis výsledku anglicky

In this report we review and structure the branch of molecular visualization that is concerned with the visual analysis of cavities in macromolecular protein structures. First the necessary background, the domain terminology, and the goals of analytical reasoning are introduced. Based on a comprehensive collection of relevant research works, we present a novel classification for cavity detection approaches and structure them into four distinct classes: grid-based, Voronoi-based, surface-based, and probe-based methods. The subclasses are then formed by their combinations. We match these approaches with corresponding visualization technologies starting with direct 3D visualization, followed with non-spatial visualization techniques that for example abstract the interactions between structures into a relational graph, straighten the cavity of interest to see its profile in one view, or aggregate the time sequence into a single contour plot.

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)

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Computer Graphics Forum

ISSN

0167-7055

e-ISSN

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Svazek periodika

35

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

25

Strana od-do

527-551

Kód UT WoS článku

000379912300054

EID výsledku v databázi Scopus

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