Address: Nano-D, Inria Grenoble, Minatec Campus 17 rue des Martyrs, 38054 Grenoble, France
Email: Agnieszka.karczynska@inria.fr
I am a scientist highly interested in computational structural biology, including protein structure and their functions prediction, protein-protein interactions, protein-ligand interactions, rigid-body and flexible docking, utilizing experimental data in theoretical studies and in other related topics. My Ph.D. research was about predicting the structure of proteins and their complexes using the coarse-grained UNRES force field with additional information from databases. I am also involved in projects that include structure refinement, drug design, investigation of interactions between molecules via the MM/GBSA method, and force field development. These research topics made me look at biological problems from many different perspectives.
At Nano-D team I am working on the development of a method for utilising data obtained by cross-links experiment in a protein structure prediction and a quality assessment of protein assembly structures.
Publications: ResearchGate, Google Scholar
