Exit regions of cavities in proteins

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

Exit regions of cavities in proteins

Original language description

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.

Czech name

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Czech description

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Type

D - Article in proceedings

CEP classification

—

OECD FORD branch

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

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2019

Confidentiality

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

Article name in the collection

2019 IEEE 19th International Conference on Bioinformatics and Bioengineering

ISBN

978-1-72814-617-1

ISSN

2471-7819

e-ISSN

—

Number of pages

6

Pages from-to

1-6

Publisher name

IEEE

Place of publication

Piscataway

Event location

Atheny

Event date

Oct 28, 2019

Type of event by nationality

WRD - Celosvětová akce

UT code for WoS article

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