Protein structure comparison via contact map alignment / Protein structure comparison via contact map alignment

AUTOR(ES)
FONTE

IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia

DATA DE PUBLICAÇÃO

05/02/2010

RESUMO

Proteins are primary components in almost all biological processes in living organisms. It is known that the variety of protein functions is a result of the differences in protein structures. Therefore, understanding and comparing the structure of proteins is a major challenge in modern molecular biology. The structural alignment and comparison of proteins became an essential task, whose solution is instrumental in aiding other problems such as drug design, protein structure/function prediction, and protein clustering. One promising class of approaches for measuring protein similarity relies on the alignment of the protein contact maps. The most common mathematical statement of the contact map comparison problem is called the Maximum Contact Map Overlap (MAX-CMO). In this context, in this Masters thesis it has been proposed the hybrid heuristic Greedy Random Adaptive Search Procedure with Path-relinking for the Maximum Contact Map overlap problem which have been revealed able to find improved solutions. Another proposal which has been presented in this work is the implementation of a computational tool that allows the structural alignment of proteins through the proposed heuristic. The chapters 2 and 3 of this dissertation represent the manuscripts describing these two proposals and a final chapter that contains the conclusion and outlines the possibilities for future work.

ASSUNTO(S)

proteínas alinhamento estrutural mapas de contato maxcmo agronomia proteins structural alignment contact maps max-cmo

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