Generalized pattern search and mesh adaptive direct search algorithms for protein structure prediction

  • Authors:
  • Giuseppe Nicosia;Giovanni Stracquadanio

  • Affiliations:
  • Department of Mathematics and Computer Science, University of Catania, Catania, Italy;Department of Mathematics and Computer Science, University of Catania, Catania, Italy

  • Venue:
  • WABI'07 Proceedings of the 7th international conference on Algorithms in Bioinformatics
  • Year:
  • 2007

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Abstract

Proteins are the most important molecular entities of a living organism and understanding their functions is an important task to treat diseases and synthesize new drugs. It is largely known that the function of a protein is strictly related to its spatial conformation: to tackle this problem, we have proposed a new approach based on a class of pattern search algorithms that is largely used in optimization of real world applications. The obtained results are interesting in terms of the quality of the structures (RMSD-Cα) and energy values found.