Protein Threading: From Mathematical Models to Parallel Implementations

  • Authors:
  • Rumen Andonov;Stefan Balev;Nicola Yanev

  • Affiliations:
  • LAMIH/ROI, Université de Valenciennes, Le Mont Houy, 59313 Valenciennes Cedex 9, France;Laboratoire d'Informatique du Havre EA 3219, Université du Havre, 25 rue Philippe Lebon, BP 540, 76058 Le Havre cedex, France;Faculty of Mathematics and Computer Science, University of Sofia, 5, J. Bouchier str., 1126 Sofia, Bulgaria

  • Venue:
  • INFORMS Journal on Computing
  • Year:
  • 2004

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Abstract

This paper presents a new network-flow formulation for the problem of predicting 3D protein structures using threading. Several integer-programming models based on this formulation are proposed and compared. These models allow for an efficient decomposition and for the application of a parallel branch-and-cut algorithm, significantly reducing the running time. The efficiency of our approach has been confirmed by extensive computational experiments.