Visual Analysis of Biomolecular Cavities: State of the Art

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

Visual Analysis of Biomolecular Cavities: State of the Art

Original language description

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.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

IN - Informatics

OECD FORD branch

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Project

<a href="/en/project/7AMB15AT018" target="_blank" >7AMB15AT018: Visualization and importance-driven guidance through the dynamics of large molecular complexes</a><br>

Continuities

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

Publication year

2016

Confidentiality

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

Name of the periodical

Computer Graphics Forum

ISSN

0167-7055

e-ISSN

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Volume of the periodical

35

Issue of the periodical within the volume

3

Country of publishing house

CH - SWITZERLAND

Number of pages

25

Pages from-to

527-551

UT code for WoS article

000379912300054

EID of the result in the Scopus database

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