Ecole Polytechnique                                                                                       

BIOS Research Group
BIOcomputing and Structure

We are a part of the Biochemistry Laboratory in the Biology Department of
the Ecole Polytechnique  and the Centre National de la Recherche Scientifique.

We are located in the Ecole Polytechnique, Palaiseau, just outside of Paris.
snail-mail: Laboratoire de Biochimie, Ecole Polytechnique, 91128 Palaiseau, France.



Crk structure

Thomas Simonson, Senior Research Scientist, CNRS

Thomas Gaillard, Lecturer, Ecole Polytechnique
Alexey Aleksandrov, Research Scientist, CNRS

David Mignon, software engineer.
Nicolas Panel, Francesco Villa, Ph.D. students

 Former group members


Research interests

Our group uses computer modeling and simulation to study and to engineer structure-function relationships in biomolecules. We use state-of-the-art simulation techniques, including computational protein design, molecular dynamics, continuum electrostatics, and free energy perturbation techniques, and a significant portion of our effort is directed at the development of new techniques as new needs arise. We are especially interested in protein engineering, protein-ligand recognition, and the inverse protein folding problem. We have taken part for many years in the development of free energy perturbation techniques for proteins, and these techniques are now maturing into a reliable and remarkable tool. Recent applications to aminoacyl-tRNA synthetases have provided insights into the translation of the genetic code. Protein design using directed evolution is a newer research direction in the group. We have recently developed the Proteus software package and the Proteins@Home distributed computing platform for structure prediction and design. BOINC logo

Proteus software for protein design            

Other software and data            

Some recent publications

Teaching material        

Other interesting links: