Title :
Sym-Bio GUI: A graphical user interface to analyze protein aminoacid residue contact networks
Author :
Giuliani, Alessandro ; Di Paola, Luisa ; Russo, Vincenzo
Author_Institution :
Environ. & Health Dept., Ist. Superiore di Sanita, Rome, Italy
Abstract :
Proteomics impact on drug design strongly relies on the availability of fast and efficient tools to analyze protein structures. Within this framework, a promising approach deals with the topological analysis of between-residue contact networks. In this paper, we present SymBio, a tool modelled via two Graphical User Interfaces (GUI), aimed at translating the 3D structure of the target protein, fed in the standard PDB format, into an adjacency list, formatted in a custom fashion (NWB file), that is further transmitted to a Network Analysis Toolkit (NAT), and an adjacency matrix for the dedicated clustering analysis. Both classical network invariants (computed by NAT) and a clustering procedure of the nodes (computed by GUI´s), provide potentially relevant topological information at both single residue and entire structure levels.
Keywords :
drugs; graphical user interfaces; matrix algebra; medical computing; proteins; proteomics; topology; 3D structure; NAT; NWB file; Network Analysis Toolkit; PDB format; Sym-Bio GUI; adjacency list; adjacency matrix; clustering analysis; drug design; graphical user interface; protein aminoacid between-residue contact network analysis; proteomics impact; target protein; topological analysis; Graphical user interfaces; Periodic structures; Proteins; Software; Spectral analysis; Stability analysis;
Conference_Titel :
Computer-Based Medical Systems (CBMS), 2012 25th International Symposium on
Conference_Location :
Rome
Print_ISBN :
978-1-4673-2049-8
DOI :
10.1109/CBMS.2012.6266324