DocumentCode :
3214393
Title :
Multi-threading protein surface functional description
Author :
Cristea, Paul Dan ; Tuduce, Rodica ; Arsene, Octavian ; Nicolau, Dan ; Fulga, Florin
Author_Institution :
Biomed. Eng. Center, Univ. Politeh. of Bucharest, Bucharest, Romania
fYear :
2010
fDate :
23-25 Sept. 2010
Firstpage :
59
Lastpage :
62
Abstract :
The paper presents an image-oriented description of artificial and biological nanostructured surfaces, with applicability to the functional characterization of atom neighborhoods at the surface of proteins. The property which is considered is the hydrophobicity around each surface atom. The actual hydrophobicity distribution on the atoms that form an atom´s vicinity is replaced by an equivalent hydrophobicity density distribution, computed in a standardized hexagonal or octagonal pattern around the atom. The software implementation is a desktop multi-threading application, able to process a large number of atom properties, such as type, 3D coordinates, charge and hydrophobicity. The atoms at the surface of a molecule are divided among the execution threads and a feature vector is created for each of them. The purpose of this work is to create a database of molecular surfaces that will be used in several nanotechnology research fields.
Keywords :
biology computing; multi-threading; proteins; artificial nanostructured surface; atom neighborhoods; biological nanostructured surface; desktop multithreading application; hydrophobicity density distribution; protein surface functional description; Atomic measurements; Biological system modeling; Indexes; Instruction sets; Protein engineering; Proteins;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Neural Network Applications in Electrical Engineering (NEUREL), 2010 10th Symposium on
Conference_Location :
Belgrade
Print_ISBN :
978-1-4244-8821-6
Type :
conf
DOI :
10.1109/NEUREL.2010.5644109
Filename :
5644109
Link To Document :
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