2000-2003: PhD thesis
Computational chemistry, University of Paris 11. Theoretical study of charge and excitation transfer in double-stranded nucleic acids and molecular clusters.
1998-1999: Master's degree
Molecular physical chemistry, University of Paris 11.
1995-1998: Chemical engineer
École Nationale Supérieure de Chimie de Montpellier, Montpellier, France.
2023-: Tenured research position at the Enzyme and Cell Engineering Lab (GEC), CNRS UMR 7025, Amiens (France): membrane dynamics, membrane-peptide interaction, chemobiological drug design.
Multiscale modeling; deep learning; free energy calculations; software development.
2014: Tenured research position at Laboratoire de Glycochimie, des Antimicrobiens et des Agroressources, CNRS UMR7378, Amiens (France): drug-pathogen recognition.
Sugar-lectin recognition; inhibition of Gram-negative membrane transporters; development of coarse-grained models; free energy calculations; software development.
2008: Tenured research position following postdoctoral fellowship at Institut de Biologie et Chimie des Protéines, CNRS UMR5086, Lyon (France): dynamics of protein-DNA recognition.
Dynamics of protein-DNA and protein-protein complexes; development of generalized constraints; characterization of flexibility; free energy calculations; software development.
2007: Postdoctoral fellowship, INRIA Sophia-Antipolis & Institut Pasteur, Paris (France): geometrical and topological methods for the study of protein flexibility and recognition.
Modeling of protein-protein interfaces; characterization of correlated motion and conformational transitions from molecular dynamics simulations; software development.
2004: Postdoctoral fellowship at the Max Planck Institute for Biophysical Chemistry, Göttingen (Germany): molecular dynamics study of nucleic acids at long timescales.
Base flipping in DNA; conformational transitions of the Holliday junction; characterization of the conformational space of proteins; development of methods to study correlated motion and compute free energies; software development.
2000: PhD thesis at Laboratoire Françis Perrin, CNRS URA2453/Commissariat à l’Énergie Atomique, Saclay (France): theoretical study of charge and excitation transfer processes in DNA strands and molecular clusters.
Development of force fields combining classical and quantum mechanical terms; effective Hamiltonian approaches; ionized and excited states of DNA strands; energy landscape exploration methods; semi-classical molecular dynamics; software development.
2000: Military service as a corps scientist, at Institut de Recherche Criminelle de la Gendarmerie Nationale, Rosny-sous-Bois (France): development and optimization of chromatographic methods for the detection and characterization of narcotics in biological matrices.
1999: Research internship at Laboratoire Françis Perrin, CNRS URA2453/Commissariat à l’Énergie Atomique, Saclay (France): chiral discrimination in small heteroclusters.
1998: Engineering internship at Commissariat à l’Énergie Atomique, Saclay (France): design and synthesis of steroid hormones labeled with stable isotopes.
1997: Internship at Institut Lavoisier, CNRS/UVSQ, Versailles (France). Synthesis and characterization of novel polyoxothiometallic compounds.
Biomolecular recognition processes
Protein/DNA/carbohydrate/drug recognition and binding. Indirect (flexibility-related) and multivalent recognition mechanisms.
Free energy calculations
Binding free energies for molecular recognition. Entropic effects. Enhanced sampling molecular dynamics. Development of generalized constraints for the efficient exploration of free energy landscapes.
Force field design
All-atom and coarse-grained models for novel pharmaceutical compounds.
Scientific computing. Algorithms for the simulation and analysis of biomolecular systems.