Study of the complementarity between ligands/receptors and protein/DNA by the development of genetic algorithm methods

Project: PHD

Project Details

Description

A genetic algorithm (GA) method is elaborated to study the "HIV-1 reverse transcriptase/non-nucleoside inhibitors", "cyclodextrine/chiral drug", and "DNA/protein" systems. Each potential position and orientation of the ligand in the receptor active site is evaluated by a function based on the compatible contacts between host and guest.
StatusFinished
Effective start/end date1/09/9831/12/04

Keywords

  • artificial intelligence
  • DNA
  • complementarity
  • protein
  • non-nucleoside inhibitor
  • HIV-1 RT
  • genetic algorithms

Research Output

Protein-Protein Docking Using Three-Dimensional Reduced Representations and Based on a Genetic Algorithm

Becue, A., Meurice, N., Leherte, L. & Vercauteren, D., 2008, Models, Mysteries, and Magic of Molecules. Boeyens, J. C. A. & Ogilvie, J. F. (eds.). Guildford: Springer, p. 301-323 23 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

  • Description of Protein-DNA Complexes in Terms of Electron-Density Topological Features

    Becue, A., Meurice, N., Leherte, L. & Vercauteren, D. P., 1 Dec 2003, In : Acta crystallographica. Section D. Biological crystallography. 59, 12, p. 2150-2162 13 p.

    Research output: Contribution to journalArticle

  • Student Theses

    Développement d'une méthode originale d'algorithme génétique pour l'étude de la compléméntarité entre partenaires macromoléculaires protéine-protéine et protéine-acide nucléique

    Author: Becue, A., 24 Sep 2004

    Supervisor: Vercauteren, D. (Supervisor), Raes, M. (Jury), FORTIER, S. (External person) (Jury), LECOMTE, C. (External person) (Jury) & Leherte, L. (Jury)

    Student thesis: Doc typesDoctor of Sciences