VONÁSEK, Vojtěch a Barbora KOZLÍKOVÁ. Application of Sampling-based Path Planning for Tunnel Detection in Dynamic Protein Structures. In MMAR: 21st International Conference on Methods and Models in Automation and Robotics. Poland: IEEE, 2016. s. 1010-1015. ISBN 978-1-5090-1866-6. doi:10.1109/MMAR.2016.7575276.
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Základní údaje
Originální název Application of Sampling-based Path Planning for Tunnel Detection in Dynamic Protein Structures
Autoři VONÁSEK, Vojtěch (203 Česká republika, garant) a Barbora KOZLÍKOVÁ (203 Česká republika, domácí).
Vydání Poland, MMAR: 21st International Conference on Methods and Models in Automation and Robotics, od s. 1010-1015, 6 s. 2016.
Nakladatel IEEE
Další údaje
Originální jazyk angličtina
Typ výsledku Stať ve sborníku
Obor 10201 Computer sciences, information science, bioinformatics
Stát vydavatele Polsko
Utajení není předmětem státního či obchodního tajemství
Forma vydání elektronická verze "online"
Kód RIV RIV/00216224:14330/16:00090604
Organizační jednotka Fakulta informatiky
ISBN 978-1-5090-1866-6
Doi http://dx.doi.org/10.1109/MMAR.2016.7575276
UT WoS 000392500900177
Klíčová slova anglicky protein;ligand;path planning;tunnel
Štítky firank_B
Změnil Změnil: RNDr. Pavel Šmerk, Ph.D., učo 3880. Změněno: 13. 5. 2020 19:40.
Anotace
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.
VytisknoutZobrazeno: 19. 3. 2024 06:12