Um novo operador evolutivo para determinação da estrutura tridimensional de proteínas

Adriano V. WerhliNey Lemke

We propose and apply a new mutation operator in a Genetic Algorithm (GA) to determine the structure of polyalanines, proteins formed by alanine aminoacids. First the basic concepts about proteins and its structure are presented, then we introduce the GA and review the literature on its application on the protein folding problem. Inspired by the results obtained with other approaches we propose two new mutation operators aiming to reduce the search space. We also made experiments with different genetic operators trying to minimize the premature convergence. Using our GA we determine the structure of polyalanines with 5, 7, 9, 11, 13, 15 and 17 aminoacids. The proposed algorithm found the structure of minimum known energy in 90% of the simulations for the polyalanine with 17 aminoacids. Clique no link abaixo para buscar o texto completo deste trabalho na Web: Buscar na Web

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