A word cloud of my main research keywords would be:
Structure modelling of the αIIbβ3 polymorphisms
Fetal / Neonatal alloimmune thrombocytopenia (FNAIT) is a severe bleeding syndrome in which fetal / neonatal platelet destruction is mediated by maternal antibodies directed to specific antigens (or alloantigens) inherited from the father. The integrin complex αIIbβ3 is highly immunogenic and is responsible for most FNAIT. We used state-of-the-art molecular modelling techniques to study the impact of Human Platelet Alloantigen (HPA) polymorphisms on the αIIbβ3 complex structure, and their role in antigenicity. We are investigating in detail the HPA-1 polymorphism involved in most cases of FNAIT.
αIIbβ3 complex with integrins αIIb and β3 in gray and green. The main β3 polymorphisms are highlighted as purple beads.
Small Heat Shock Proteins
Small Heat Shock Proteins (sHSP) are chaperone-like proteins involved in multiple cellular processes such as denatured protein aggregate prevention, apoptose inhibition, or cytosqueleton protection. These proteins are large assemblies generally composed of several copies of the same monomer.
We aim to understand the building process of these complexes, starting from the dynamical properties of the monomer, to the association into dimers to finally reach the functional assembly. The study of these objects requires many bioinformatics tools such as multiple sequence alignments, homology modelling, molecular dynamics and docking simulation with a modelisation scale ranging from all-atom to coarse grain. Based on sequence informations, we are currently working on the structural properties of the different regions of the sHSP monomers, namely the Nter region, the Alpha Crystallin Domain (ACD) and the Cter region.
We developed a C++/Python library (PTools) to handle rigid body objects.
A direct application of this library is a coarse grain docking software
PTools homepage is http://www.ibpc.fr/chantal/www/ptools/
PTools development is made on launchpad https://launchpad.net/ptools.