Proteins are some of the most fascinating and complex macromolecules in living systems that play extraordinarily diverse roles in sustaining life. These roles are mediated through the interactions that proteins make both with other proteins and with different molecular constituents of the cell. The continuing focus of my research is on investigating the principles (structural, energetic and dynamic) that govern protein interactions. To that end I employ molecular simulation and modeling techniques to study protein-protein protein-DNA, and protein-ligand interactions at the atomic scale. I am furthermore keen on analyzing the properties of known protein structures and sequences in order to gain insight into how evolution has shaped the functional specificity of proteins. In parallel to these molecular level investigations I am actively engaged in developing quantitative and integrative computational approaches for analyzing physical and functional interactions between proteins, protein complexes and biochemical pathways at the cellular level. My research activities closely combine the development of analysis methods and software tools, with their application to important biological problems with relevance to human health.
- Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
- adhesin HopQ disrupts dimerization in human CEACAMs.
- Future perspective for potential Helicobacter pylori eradication therapies.
- Structural Basis of Epitope Recognition by Heavy Chain Camelid Antibodies.
- AmyPro: a database of proteins with validated amyloidogenic regions.
- Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
- Chemistry and Redox Biology of Mycothiol.
- A comprehensive assessment of long intrinsic protein disorder from the DisProt database.