• E-mail :[email]
  • Phone : +33 4 93 95 77 31
  • Location : IPMC, Sophia Antipolis, France
Last update 2011-04-04 16:36:27.627

Dominique Douguet PhD Structural Bioinformatics and Cheminformatics

Course and current status

2007- Bioinformatic Research Scientist (CR1 INSERM), Institut de Pharmacologie Moléculaire et Cellulaire (UMR6097 CNRS, University of Nice Sophia Antipolis), Sophia-Antipolis, France.

2007- Ability to direct PhD students ('HDR')

2003-4 Sabbatical stay at the University of Stony Brook, NY, USA (Ilya Vakser’s Laboratory). Development of parts of the Dockground project dedicated to the study of protein-protein interactions.

2000-6 Bioinformatic Research Scientist (2002- CR2 INSERM), Centre de Biochimie Structurale (U554 INSERM, UMR5048 CNRS, University of Montpellier I and II)), Montpellier, France. Development of the first version of the @TOME server dedicated to fold-recognition and comparative modeling of proteins.

1999-2000 Computational Chemist (Postdoctoral position). Hoechst Marion Roussel (AVENTIS), Romainville, France.

1996-99 Computational Chemist. Galderma R&D (L’Oréal and Nestlé subsidiary), Sophia-Antipolis, France. PhD thesis.

Scientific summary

Developments and applications of structural bioinfomatic and cheminformatic tools

Current developments:

  • e-Drug3D is a cheminformatic oriented database of the FDA approved drugs having a molecular weight less than 2000.
  • LEA3D is collection of computer programs to screen small molecule libraries (also called in silico or virtual screening), perform de novo drug design or build combinatorial libraries of compounds.

Case studies under collaboration at the IPMC Institute:

  • Homology modeling of the 3D structure of proteins (e.g.: human sPLA2, TREKs potassium channels, ASICs channels...)
  • Identification of ligands from large collections of small molecules (human sPLA2...)

     

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