Exit regions of cavities in proteins

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F19%3A43956381" target="_blank" >RIV/49777513:23520/19:43956381 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1109/BIBE.2019.00010" target="_blank" >http://dx.doi.org/10.1109/BIBE.2019.00010</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1109/BIBE.2019.00010" target="_blank" >10.1109/BIBE.2019.00010</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Exit regions of cavities in proteins

Popis výsledku v původním jazyce

Proteins have a complex three dimensional structure with empty cavities and tunnels in the inter-atomic space and these spatial features are often essential for the correct biological function. Many discrete and analytical methods have been developed for the computation, analysis and visualization of these features. In this paper, we focus on the connection of cavities with the space outside a protein. This connection would normally be described by tunnels. However, the number of possible solutions can be very high and therefore a nontrivial pruning of solutions is needed to deliver only a few representatives. Therefore, we propose an alternative kind of spatial features called exit regions of cavities. These regions capture the critical locations where a spherical probe, initially placed in a cavity, can leave the protein if the probe is allowed to shrink. The shape of an exit region is more detailed when compared against the simple circular profile of a tunnel. Tunnels, on the other hand, provide more information about the exact path.

Název v anglickém jazyce

Exit regions of cavities in proteins

Popis výsledku anglicky

Proteins have a complex three dimensional structure with empty cavities and tunnels in the inter-atomic space and these spatial features are often essential for the correct biological function. Many discrete and analytical methods have been developed for the computation, analysis and visualization of these features. In this paper, we focus on the connection of cavities with the space outside a protein. This connection would normally be described by tunnels. However, the number of possible solutions can be very high and therefore a nontrivial pruning of solutions is needed to deliver only a few representatives. Therefore, we propose an alternative kind of spatial features called exit regions of cavities. These regions capture the critical locations where a spherical probe, initially placed in a cavity, can leave the protein if the probe is allowed to shrink. The shape of an exit region is more detailed when compared against the simple circular profile of a tunnel. Tunnels, on the other hand, provide more information about the exact path.

Druh

D - Stať ve sborníku

CEP obor

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OECD FORD obor

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

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

2019

Kód důvěrnosti údajů

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

Název statě ve sborníku

2019 IEEE 19th International Conference on Bioinformatics and Bioengineering

ISBN

978-1-72814-617-1

ISSN

2471-7819

e-ISSN

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Počet stran výsledku

6

Strana od-do

1-6

Název nakladatele

IEEE

Místo vydání

Piscataway

Místo konání akce

Atheny

Datum konání akce

28. 10. 2019

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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