Aplicações da teoria de nós no estudo da estrutura de proteínas
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Data
2013-11-20
Autores
Silva, Paula Martins da [UNESP]
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Editor
Universidade Estadual Paulista (Unesp)
Resumo
Este estudo consiste em entender a forma tridimensional de proteínas, investigando padrões de comportamento na área do Nó matemático em relação à proteína real. A abordagem adotada envolveu a aplicação de uma teoria matemática sobre os Nós (Knots) para o entendimento da geometria adotada elas proteínas. No laboratório de simulação computacional da UNESP, campus de Bauru, foi utilizado um microcomputador Pentium com 1GB de RAM. Os softwares utilizados foram: Origin 7.0, pacote da Microsoft Office, CodeBlocks - que é um ambiente de desenvolvimento integrado (IDE) para plataformas Linux -, MAC OS e Windows, que permite escrever aplicativos para ambiente gráficos ou aplicativos de console em linguagem C ou C++, com suporte a múltiplos compiladores como GCC/MinGW, SDCC, intel C++, GNU ARM. Além desses, o software RasMol foi utilizado para visualização das proteínas e o software KnotPlot, para investigação dos Nós matemáticos. O método apresenta o levantamento, tratamento e integração dos dados. Através do software, não foram reconhecidos padrões em proteínas que possuem os Nós. Apresentou-se uma nova abordagem para visualizar alfa hélice, fitas betas e turns. No que diz respeito às distâncias internas, foi possível analisar o comportamento das proteínas e, na topologia matemática a 3, detectou-se similaridade em relação às quantidades de concavidades e pisos. Conclui-se que o programa necessita de parâmetros estabelecidos na literatura para realizar todas as leitura dos resultados apresentado pelo software
The present study is at understanding the three-dimensional form of proteins, thus investigating behavioral patterns of the mathematical knot in relation to the actual protein. It was adopted the approach of applying a Math theory about knots for the comprehension of the proteins geometry proteins. In the computer simulation laboratory at UNESP, Bauru campus, it was used a 1 GB RAM PC Pentium, and the software Origin 7.0; Microsoft Office package; CodeBlocks, an integrated development environment for Linux platform; MAC OS and Windows, which allow to write applications for graphic environments or console applications in C or C++ language with support to multiple compilers such as GCC/MinGW, SDCC, Intel C++, and GNU ARM. Besides, the software RasMol was also used for the visualization of the proteins, and KnotPlot for the investigation of mathematical knots. The method presents data gathering, processing and integration. By using the software there were no recognized patterns in proteins with knots, and it was presented a new approach in order to visualize alpha-helix, beta-strands, and turns. In what concerns internal distances, it was possible to analyze the behavior of proteins and, in 3 Math topology, it was detected some similarity in relation to the amount of peaks and troughs. Thus, it was concluded that the program requires parameters established in the literatura in order to perform all reading of the results presented by the software
The present study is at understanding the three-dimensional form of proteins, thus investigating behavioral patterns of the mathematical knot in relation to the actual protein. It was adopted the approach of applying a Math theory about knots for the comprehension of the proteins geometry proteins. In the computer simulation laboratory at UNESP, Bauru campus, it was used a 1 GB RAM PC Pentium, and the software Origin 7.0; Microsoft Office package; CodeBlocks, an integrated development environment for Linux platform; MAC OS and Windows, which allow to write applications for graphic environments or console applications in C or C++ language with support to multiple compilers such as GCC/MinGW, SDCC, Intel C++, and GNU ARM. Besides, the software RasMol was also used for the visualization of the proteins, and KnotPlot for the investigation of mathematical knots. The method presents data gathering, processing and integration. By using the software there were no recognized patterns in proteins with knots, and it was presented a new approach in order to visualize alpha-helix, beta-strands, and turns. In what concerns internal distances, it was possible to analyze the behavior of proteins and, in 3 Math topology, it was detected some similarity in relation to the amount of peaks and troughs. Thus, it was concluded that the program requires parameters established in the literatura in order to perform all reading of the results presented by the software
Descrição
Palavras-chave
Simulação (Computadores), Teoria do no, Geometria, Computer simulation
Como citar
SILVA, Paula Martins da. Aplicações da teoria de nós no estudo da estrutura de proteínas. 2013. 129 f. Tese (doutorado) - Universidade Estadual Paulista Júlio de Mesquita Filho, Faculdade de Ciências, 2013.