DockVis: Visual Analysis of Molecular Docking Data

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F19%3A00107523" target="_blank" >RIV/00216224:14330/19:00107523 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68407700:21230/19:00335515

Výsledek na webu

<a href="http://dx.doi.org/10.2312/vcbm.20191238" target="_blank" >http://dx.doi.org/10.2312/vcbm.20191238</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2312/vcbm.20191238" target="_blank" >10.2312/vcbm.20191238</a>

Jazyk výsledku

angličtina

Název v původním jazyce

DockVis: Visual Analysis of Molecular Docking Data

Popis výsledku v původním jazyce

Molecular docking is one of the key mechanisms for predicting possible interactions between ligands and proteins. This highly complex task can be simulated by several software tools, providing the biochemists with possible ligand trajectories, which have to be subsequently explored and evaluated for their biochemical relevance. This paper focuses on aiding this exploration process by introducing DockVis visual analysis tool. DockVis operates primarily with the multivariate output data from one of the latest available tools for molecular docking, CaverDock. CaverDock output consists of several parameters and properties, which have to be subsequently studied and understood. DockVis was designed in tight collaboration with protein engineers using the CaverDock tool. However, we believe that the concept of DockVis can be extended to any other molecular docking tool providing the users with corresponding computation results.

Název v anglickém jazyce

DockVis: Visual Analysis of Molecular Docking Data

Popis výsledku anglicky

Molecular docking is one of the key mechanisms for predicting possible interactions between ligands and proteins. This highly complex task can be simulated by several software tools, providing the biochemists with possible ligand trajectories, which have to be subsequently explored and evaluated for their biochemical relevance. This paper focuses on aiding this exploration process by introducing DockVis visual analysis tool. DockVis operates primarily with the multivariate output data from one of the latest available tools for molecular docking, CaverDock. CaverDock output consists of several parameters and properties, which have to be subsequently studied and understood. DockVis was designed in tight collaboration with protein engineers using the CaverDock tool. However, we believe that the concept of DockVis can be extended to any other molecular docking tool providing the users with corresponding computation results.

Druh

D - Stať ve sborníku

CEP obor

—

OECD FORD obor

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Projekt

<a href="/cs/project/GA17-07690S" target="_blank" >GA17-07690S: Metody identifikace a vizualizace tunelů pro flexibilní ligandy v dynamických proteinech</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

2019

Kód důvěrnosti údajů

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

Název statě ve sborníku

Eurographics Workshop on Visual Computing for Biology and Medicine

ISBN

9783038680819

ISSN

2070-5786

e-ISSN

—

Počet stran výsledku

10

Strana od-do

113-122

Název nakladatele

The Eurographics Association

Místo vydání

Brno

Místo konání akce

Brno

Datum konání akce

4. 9. 2019

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

—