Technical skill sheet

Virtual Screening

  • Centre of research : MINES ParisTech, centre de bio-informatique - CBIO
  • Prestation : Research and Development

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Development of new virtual screening methods by statistical learning on molecule data banks.
Keywords : virtual screening : docking, statistical learning on molecule databases (ligand-based methods).


Medical sector : drugs research.
Biophysical skills (nuclear magnetic resonance, X-ray diffraction) applied to the study of the structure of biomolecules, enabling approaches combining virtual screening of the 3D structure of the therapeutic target (docking methods) and approaches based on the structure of the target partner chemical molecules (ligand-based methods).
Pharmaceutical industry.


Software and servers :
- DSIR : algorithms for siRNA design (with the CEA)
- ChemCpp : C++ toolbox for computational chemistry
SLP-Local : bioinformatics platform for the localisation of subcellular proteins from their amino acid sequence
- NGrid : open source grid computing framework
- Support vector machines.