Hybrid evolutionary algorithm with a composite fitness function for protein structure prediction

  • Authors:
  • Camelia Chira;Nima Hatami

  • Affiliations:
  • Department of Computer Science, Babes-Bolyai University, Cluj-Napoca, Romania;BioCircuits Institute, University of California, La Jolla, CA

  • Venue:
  • IDEAL'12 Proceedings of the 13th international conference on Intelligent Data Engineering and Automated Learning
  • Year:
  • 2012

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Abstract

The problem of predicting a protein structure with minimum energy from a sequence of amino acids has a significant importance in biology. This is a computationally challenging problem being NP-hard even in simplified lattice protein models such as the hydrophobic-polar (HP) model. We investigate the performance of hybrid evolutionary algorithms in the context of the bidimensional HP model. A new fitness function to evaluate the quality of a protein conformation is proposed and engaged in a hybrid evolutionary model to address protein structure prediction. The evolutionary model relies on hill-climbing strategies integrated in the search operators and a meaningful diversification of genetic material. The proposed fitness takes into account the energy of the conformation as well as the existence of a certain conformation H core on the HP lattice. The resulting weighted fitness function is able to guide the evolutionary search in a more efficient way as emphasized by computational experiments.