François Dehez  
Centre National de la Recherche Scientifique Research Associate

Phone :     +33-(0)3-83-68-40-98
Fax :         +33-(0)3-83-68-43-87
E-mail :


Biographical sketch

I received my B.Sc. in physical chemistry from Clermont-Ferrand University, France. In 1998, I joined the the Theoretical Chemistry group in Nancy. My Ph.D. project, sponsored by a Commissariat à l’Énergie Atomique (CEA) fellowship, has been dedicated to the study of the isotopic exchange reaction of lithium ions by crown-ethers in organic solvents using hybrid Quantum Mechanics / Molecular Mechanics methods. During this period I also contributed to the development of intermolecular potentials including an explicit description of the electronic polarization. After I obtained in 2002 my PhD. with honors, cum laude, I joined the chemistry department of the University of Bologna (Italy). As a European postdoctoral fellow I worked on artificial molecular switches and motors using molecular dynamics simulations. In October 2003, I was appointed research associate by the CNRS at the chemistry department of Nancy University. My research interests now focus on the interaction of peripheral proteins with phospholipid bilayers, transport processes across the biological membrane, and the development of new approaches for improving the description of intermolecular interactions in molecular simulations of biological systems.  


Scientific production

23 publications in international peer reviewed journals


Recent publications

  1. Krammer, E−.M.; Ravaud, S.; Dehez, F.; Frelet−Barrand, A.; Pebay−Peyroula, E.; Chipot, C.; High−chloride concentrations abolish the binding of adenine nucleotides in the mitochondrial ADP/ATP carrier family. Biophys. J. 2009, 97, L25−L27.
  2. Archambault, F.; Chipot, C.; Soteras, I.; Luque, F. J.; Schulten, K.; Dehez, F.; Polarizable Intermolecular Potentials for Water and Benzene Interacting with Halide and Metal Ions. J. Chem. Theory Comput. 2009, 5, 3022–3031.
  3. Delemotte, L.; Dehez, F.; Treptow, W.; Tarek, M.; Modeling membranes under a transmembrane potential, J. Phys. Chem. B 2008, 112, 5547-5550.
  4. Dehez, F.; Archambault, F.; Soteras Gutiérrez, I.; Luque, F. J., Chipot, C.; An ab initio strategy for handling induction phenomena in metal ion complexes, Mol. Phys. 2008, 106, 1685-1696.
  5. Dehez, F.; Pebay-Peyroula, E.; Chipot, C.; Binding of ADP in the mitochondrial ADP/ATP carrier is driven by an electrostatic funnel , J. Am. Chem. Soc. 2008, 130, 12725-12733.

Recent publications

Structure, substrate binding and symmetry of the mitochondrial ADP/ATP carrier in its matrix-open state
Joel Jose Montalvo-Acosta; Edmund R.S. Kunji; Jonathan J. Ruprecht; Francois Dehez; Christophe Chipot;
Biophysical Journal (2021)
Accurate Description of Cation-π Interactions in Proteins with a Nonpolarizable Force Field at No Additional Cost
Han Liu; Haohao Fu; Xueguang Shao; Wensheng Cai; Christophe Chipot;
Journal of Chemical Theory and Computation (2020) 31 (10): 671-6407
Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V
Soung-Hun Roh; Mrinal Shekhar; Grigore Pintilie; Christophe Chipot; Stephan Wilkens; Abhishek Singharoy; Wah Chiu;
Science Advances (2020) 10 (41): 5276-