Visibility-Based Approach to Surface Detection of Tunnels in Proteins

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F15%3A00080777" target="_blank" >RIV/00216224:14330/15:00080777 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1145/2788539.2788548" target="_blank" >http://dx.doi.org/10.1145/2788539.2788548</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1145/2788539.2788548" target="_blank" >10.1145/2788539.2788548</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Visibility-Based Approach to Surface Detection of Tunnels in Proteins

Popis výsledku v původním jazyce

Structural properties of proteins substantially influence their reactivity. Thus, the presence of pathways serving for transportation of a small molecule to the protein active site is crucial. These pathways, called tunnels, are defined by their surroundings --- tunnel lining amino acids (or residues). In consequence, studying these amino acids and their properties is tightly connected with protein reactivity. The set of tunnel lining amino acids detected for a given tunnel can differ with respect to selected algorithm for their computation. The criteria for evaluating their biochemical relevance are different as well, as they can depend on various physico-chemical properties. In this paper we firstly present a novel approach to the detection of tunnellining amino acids. This approach is more robust in comparison with the existing methods. It is based on the visibility of atoms of the amino acids from the tunnel surface, often derived from the Voronoi diagram.

Název v anglickém jazyce

Visibility-Based Approach to Surface Detection of Tunnels in Proteins

Popis výsledku anglicky

Structural properties of proteins substantially influence their reactivity. Thus, the presence of pathways serving for transportation of a small molecule to the protein active site is crucial. These pathways, called tunnels, are defined by their surroundings --- tunnel lining amino acids (or residues). In consequence, studying these amino acids and their properties is tightly connected with protein reactivity. The set of tunnel lining amino acids detected for a given tunnel can differ with respect to selected algorithm for their computation. The criteria for evaluating their biochemical relevance are different as well, as they can depend on various physico-chemical properties. In this paper we firstly present a novel approach to the detection of tunnellining amino acids. This approach is more robust in comparison with the existing methods. It is based on the visibility of atoms of the amino acids from the tunnel surface, often derived from the Voronoi diagram.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

<a href="/cs/project/GAP202%2F10%2F1435" target="_blank" >GAP202/10/1435: Analýza a vizualizace proteinových struktur</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

2015

Kód důvěrnosti údajů

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

Název statě ve sborníku

31st Proceedings of Spring Conference on Computer Graphics

ISBN

9781450336932

ISSN

—

e-ISSN

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Počet stran výsledku

8

Strana od-do

85-92

Název nakladatele

Comenius University

Místo vydání

Bratislava, Slovakia

Místo konání akce

Smolenice Castle

Datum konání akce

22. 4. 2015

Typ akce podle státní příslušnosti

EUR - Evropská akce

Kód UT WoS článku

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