Structural Biology

Liliane Mouawad was always interested in understanding the mechanism of action of proteins or protein assemblies. This understanding may be based on either molecular

simulations or on experiments like NMR. But her expertise is primarily in molecular dynamics simulations and more precisely in normal mode analysis (NMA). She

has developed several methods going from the calculation of normal modes of very large systems or of images, to the calculation of the pathway between two protein

conformations or to the prediction of the compactness of a calcium-binding protein. Recently, she was also involved in docking and virtual screening themes, where she

has acquired enough expertise to develop a new consensus methodology to overcome some issues observed in these approaches.