Application of sampling-based path planning for tunnel detection in dynamic protein structures
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F16%3A00302560" target="_blank" >RIV/68407700:21230/16:00302560 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14330/16:00090604
Result on the web
<a href="http://ieeexplore.ieee.org/document/7575276/" target="_blank" >http://ieeexplore.ieee.org/document/7575276/</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1109/MMAR.2016.7575276" target="_blank" >10.1109/MMAR.2016.7575276</a>
Alternative languages
Result language
angličtina
Original language name
Application of sampling-based path planning for tunnel detection in dynamic protein structures
Original language description
Behavior and properties of proteins as well as other bio-macromolecules is influenced by internal void space such as tunnels or cavities. Tunnels are paths leading from an active site inside the protein to its surface. Knowledge about tunnels and their evolution in time provides an insight into protein properties (e.g. stability or resistance to a co-solvent). Tunnels can be found using Voronoi diagrams (VD). To consider protein dynamics, that is represented by a sequence of protein snapshots, correspondences between VD in these snapshots need to be found. The computation of these correspondences is however time and memory consuming. In this paper, we propose a novel method for tunnel detection in dynamic proteins based on Rapidly Exploring Random Tree (RRT). The method builds a single configuration tree describing free space of the protein. The nodes of the tree are pruned according to protein dynamics. The proposed approach is compared to CAVER 3.0, one of the widely used freely available tools for protein analysis.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
JC - Computer hardware and software
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA16-24206S" target="_blank" >GA16-24206S: Efficient Information Gathering with Dubins Vehicles in Persistent Monitoring and Surveillance Missions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Proceedings of MMAR'2016
ISBN
978-1-5090-1866-6
ISSN
—
e-ISSN
—
Number of pages
6
Pages from-to
1010-1015
Publisher name
West Pomeranian University of Technology
Place of publication
Szczecin
Event location
Międzyzdroje
Event date
Aug 29, 2016
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
000392500900177