Computation of channels in protein dynamics

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F09%3A00029650" target="_blank" >RIV/00216224:14330/09:00029650 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Computation of channels in protein dynamics

Popis výsledku v původním jazyce

When performing complex analysis of protein molecules, chemists need to analyze the behavior of channels in protein molecules. There are various methods which can be used for analyzing channels in a static molecule. However, no specialized method that would be able to follow an opening and closing of channels in a moving molecule exists. This paper surveys several possible methods, which are able to partition channels computed in a sequence of molecule snapshots into clusters representing progress of channels in the sequence. All presented methods are built on top of previous static methods of channel computation. They process molecule samples in time and are based on computing channels independently in these samples. Computed channels are classified subsequently. The methods were piloted on real data. The results are discussed and main advantages and disadvantages of the methods are mentioned.

Název v anglickém jazyce

Computation of channels in protein dynamics

Popis výsledku anglicky

When performing complex analysis of protein molecules, chemists need to analyze the behavior of channels in protein molecules. There are various methods which can be used for analyzing channels in a static molecule. However, no specialized method that would be able to follow an opening and closing of channels in a moving molecule exists. This paper surveys several possible methods, which are able to partition channels computed in a sequence of molecule snapshots into clusters representing progress of channels in the sequence. All presented methods are built on top of previous static methods of channel computation. They process molecule samples in time and are based on computing channels independently in these samples. Computed channels are classified subsequently. The methods were piloted on real data. The results are discussed and main advantages and disadvantages of the methods are mentioned.

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)

Rok uplatnění

2009

Kód důvěrnosti údajů

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

Název statě ve sborníku

Proceedings of the IADIS International Conference Applied Computing 2009

ISBN

978-972-8924-97-3

ISSN

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e-ISSN

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Počet stran výsledku

8

Strana od-do

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Název nakladatele

IADIS Press

Místo vydání

Rome

Místo konání akce

Rome

Datum konání akce

1. 1. 2009

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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