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Our group is dealing with isolation, synthesis and chemical/biological
properties of natural compounds. A part of our group (the one I am
supervising) performs molecular modelling of natural compounds.
Quantum calculations allow to understand or to predict the compound
behaviours (i.e., chemistry, chemical biology, biological activities,
antioxidant properties, behaviour in solution or near the membrane,
synthesis, reactivity). This is always compared to experimental data
that come either from our group or from other groups.
As an example we started a nice collaboration with Pr Vladimir Kren in
Prague and we successfully started/published some joined
theoretical/experimental studies. The combination of both approaches
helped to highlight some specific behaviour of polyphenols.
The Molecular Modelling projects allowed us to develop numerous
collaborations in France, Belgium, The Czech Republic, Spain,
Malaysia, with experimentalist and theoretical groups.
