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Communication Dans Un Congrès Année : 2008

Parallel multi-objective algorithms for the molecular docking problem

Résumé

Molecular docking is an essential tool for drug design. It helps the scientist to rapidly know if two molecules, respectively called ligand and receptor, can be combined together to obtain a stable complex. We propose a new multi-objective model combining an energy term and a surface term to gain such complexes. The aim of our model is to provide complexes with a low energy and low surface. This model has been validated with two multi-objective genetic algorithms on instances from the literature dedicated to the docking benchmarking.
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Dates et versions

inria-00336578 , version 1 (04-11-2008)

Identifiants

  • HAL Id : inria-00336578 , version 1
  • ARXIV : 0811.0514

Citer

Jean-Charles Boisson, Laetitia Jourdan, El-Ghazali Talbi, Dragos Horvath. Parallel multi-objective algorithms for the molecular docking problem. Computational Intelligence in Bioinformatics and Bioengineering (CIBCB08), Sep 2008, Sun Valley, United States. ⟨inria-00336578⟩
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