Tunnel detection in protein structures using sampling-based motion planning

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F17%3A00315178" target="_blank" >RIV/68407700:21230/17:00315178 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14330/17:00097512
Result on the web
<a href="http://ieeexplore.ieee.org/document/8003911/" target="_blank" >http://ieeexplore.ieee.org/document/8003911/</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1109/RoMoCo.2017.8003911" target="_blank" >10.1109/RoMoCo.2017.8003911</a>

Result language
angličtina
Original language name
Tunnel detection in protein structures using sampling-based motion planning
Original language description
Proteins are involved in many biochemical processes. The behavior of proteins is influenced by internal void space such as tunnels or cavities. Tunnels are paths leading from an inner protein active site to its surface. The knowledge about tunnels and their evolution over time provides an insight into protein properties (e.g., stability). Sampling-based motion planning techniques like Rapidly Exploring Random Tree (RRT) can be used to find tunnels by sampling the corresponding configuration space. These methods can be easily adapted to operate with protein dynamics. The inner void space of proteins is very limited, which may decrease the ability of RRT to find a solution due to the narrow passage problem. In this paper, we propose to generate random samples using a Voronoi Diagram of the atoms. A subset of Voronoi vertices is dynamically maintained to support the generation of samples in promising regions inside the protein.
Czech name
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Czech description
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Project
<a href="/en/project/GA17-07690S" target="_blank" >GA17-07690S: Methods of Identification and Visualization of Tunnels for Flexible Ligands in Dynamic Proteins</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
2017 11th International Workshop on Robot Motion and Control (RoMoCo)
ISBN
978-1-5386-3926-9
ISSN
—
e-ISSN
—
Number of pages
8
Pages from-to
185-192
Publisher name
IEEE
Place of publication
Piscataway, NJ
Event location
Poznan
Event date
Jul 3, 2017
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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