Computational Structural Biology of Membrane Proteins

The Filizola Laboratory uses a variety of computational methodologies that range from bioinformatics to modeling and simulation to achieve a detailed mechanistic understanding of signal transduction processes triggered by molecular recognition in membrane protein complex systems such as the popular drug targets G Protein-Coupled Receptors (GPCRs) and platelet integrin aIIbb3. Minerva is currently utilized to simulate free association of GPCRs within model systems of cell membrane such as planar and spherical lipid bilayers. Research projects help improve our understanding of how receptors interact among themselves, forming potential new therapeutic targets for a broad spectrum of diseases.