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Thomas Simonson's 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.
 

Contact: e-mail: thomas.simonson@polytechnique.fr
voice-mail: +33/(0)1 69 33 48 60; fax: +33/(0)1 69 33 49 09
snail-mail: Laboratoire de Biochimie, Ecole Polytechnique, 91128 Palaiseau, France.

Ecole Polytechnique                                                                                                                                     

 


Research interests

My group uses computer modeling and simulation to study structure-function relationships in proteins, as well as protein evolution. 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 new research direction in the group. We have recently developed the Proteins@Home distributed computing platform for structure prediction and design.
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T Simonson's CV is here.

Group members

 Thomas Simonson, professor.
 David Mignon, engineer.
 Guillaume Launay, Najette Amara, Alexey Aleksandrov, Anne Lopes, Ph.D. students.
  Marcel Schmidt-an-Busch, postdoctoral fellow.

 Former group members.


Some recent publications




  Available software             

 Teaching material                                                                                                                                                                         



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