Real-time visualization of protein empty space with varying parameters

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Real-time visualization of protein empty space with varying parameters

Popis výsledku v původním jazyce

Exploration of empty space inside protein structures is playing a crucial role in protein engineering and drug design. Such empty space inside protein can be utilized for design of protein mutations. The importance of empty space is also based on its ability to accept a small ligand molecule which can react with the protein. The product of such reaction can form a basis of new medications. Many algorithms enabling computation of these empty spaces, often marked as voids, have been published and their results were evaluated by protein engineers to confirm their chemical relevance. However, not each void of the protein can be considered as a target point of ligand binding. Thus the following examination and assessment of all voids has to be performed. Inthis phase the visual representation of voids is very valuable and substantially decreases time of this evaluation phase. In this paper, we introduce a novel algorithm for visualization and further evaluation of voids in real-time.

Název v anglickém jazyce

Real-time visualization of protein empty space with varying parameters

Popis výsledku anglicky

Exploration of empty space inside protein structures is playing a crucial role in protein engineering and drug design. Such empty space inside protein can be utilized for design of protein mutations. The importance of empty space is also based on its ability to accept a small ligand molecule which can react with the protein. The product of such reaction can form a basis of new medications. Many algorithms enabling computation of these empty spaces, often marked as voids, have been published and their results were evaluated by protein engineers to confirm their chemical relevance. However, not each void of the protein can be considered as a target point of ligand binding. Thus the following examination and assessment of all voids has to be performed. Inthis phase the visual representation of voids is very valuable and substantially decreases time of this evaluation phase. In this paper, we introduce a novel algorithm for visualization and further evaluation of voids in real-time.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název statě ve sborníku

Proceedings of Biotechno

ISBN

9781612082608

ISSN

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e-ISSN

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Počet stran výsledku

6

Strana od-do

65-70

Název nakladatele

IARIA XPS Press

Místo vydání

Lisbon/Portugal

Místo konání akce

Lisbon, Portugal

Datum konání akce

22. 3. 2013

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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