Visualização do funil de enovelamento de proteínas

• Autor(a) principal: Oliveira Junior, Antonio Bento de [UNESP]
• Data de Publicação: 2013
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://hdl.handle.net/11449/108935
• topic: Biologia molecular; Biofísica; Enovelamento de proteína; Metodo de Monte Carlo; Superfície de energia potencial; Protein folding

The protein folding is a fundamental problem in molecular biophysics. The accepted theory, known as energy landscape, uses the funnel potential energy as a fundamental concept to understand the protein folding problem. The energy funnel occurs in a multidimensional surface, which is difficult to be visualized. The investigation of methods for a quantitative analysis of the funnel structure is important for complete understanding of the problem. In this work, ways for visualize the protein folding funnels in a 3×3×3 lattice models are presented. Protein folding simulations are carried out. Distances between conformations are determined by the non-covalent contact sand de?ned by effective metric of the structural con?guration. The analysis is restricted to conformations close to the native state, i.e., beyond the transition state. Computer minimization and visualization techniques were used to map the dynamics of the folding process into a lower dimensionality phase space, and then represent the folding funnel in two and three-dimensional surface. These techniques are applied to ?ve distinct sequences, which two are highly stable, two marginally stable and the last has a native degenerated state. Their folding funnels are very distinct, where each sequence has a signature even when some parameters varied. These results are consistent with the ideas of the theory of protein folding funnel