Inverse Protein Folding on 2D Off-Lattice Model: Initial Results and Perspectives

Inverse protein folding or protein design stands for searching a particular amino acids sequence whose native structure or folding matches a pre specified target. The problem of finding the corresponding folded structure of a particular sequence is, per se, a hard computational problem. We use a genetic algorithm for searching the space of potential sequences, and the fitness of each individual is measured with the output of a second GA performing a minimization process in the space of structures. Using an off-lattice protein-like 2D model, we show how the implemented techniques are able to obtain a variety of sequences attaining the target structures proposed.

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