Prof. Dr. Jean-Yves Le Questel

Dr. Le Questel is Professor of Physical Chemistry since 2006. He is presently the head of the “ModEling and Spectroscopy” (ModES) group of the CEISAM laboratory (UMR CNRS 6230) of Nantes University. His research has been focussed on the elucidation and quantification of molecular interactions (in particular hydrogen and halogen bonding) geometries and energies through experimental methods (IR spectrometry, structural database analyses) and computational chemistry calculations, with a particular emphasis on the analysis of the properties of small–molecule biological ligands. In recent years, his works have been dedicated to (i) the investigation of the effects of fluorine introduction on organic molecules physicochemical properties through quantum chemistry calculations (ii) the study of protein-ligand interactions (especially neonicotinoids-nicotinic acetylcholine receptors (nAChRs)) and protein-protein interactions, through a wide range of molecular modeling methods, from molecular docking to hybrid (QM/QM’) methodologies.