A grid-based genetic algorithm combined with an adaptive simulated annealing for protein structure prediction - Inria - Institut national de recherche en sciences et technologies du numérique Accéder directement au contenu
Article Dans Une Revue Soft Computing Année : 2008

A grid-based genetic algorithm combined with an adaptive simulated annealing for protein structure prediction

Résumé

A hierarchical hybrid model of parallel metaheuristics is proposed, combining an evolutionary algorithm and an adaptive simulated annealing. The algorithms are executed inside a grid environment with different parallelization strategies: the synchronous multi-start model, parallel evaluation of different solutions and an insular model with asynchronous migrations. Furthermore, a conjugated gradient local search method is employed at different stages of the exploration process. The algorithms were evaluated using the protein structure prediction problem, having as benchmarks the tryptophan-cage protein (Brookhaven Protein Data Bank ID: 1L2Y), the tryptophan-zipper protein (PDB ID: 1LE1) and the α-Cyclodextrin complex. Experimentations were performed on a nation-wide grid infrastructure, over six distinct administrative domains and gathering nearly 1,000 CPUs. The complexity of the protein structure prediction problem remains prohibitive as far as large proteins are concerned, making the use of parallel computing on the computational grid essential for its efficient resolution.

Domaines

Autre [cs.OH]

Dates et versions

hal-00688680 , version 1 (18-04-2012)

Identifiants

Citer

Alexandru-Adrian Tantar, Nouredine Melab, El-Ghazali Talbi. A grid-based genetic algorithm combined with an adaptive simulated annealing for protein structure prediction. Soft Computing, 2008, 12, pp.1185-1198. ⟨10.1007/s00500-008-0298-8⟩. ⟨hal-00688680⟩
438 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More