Computational studies are an essential part of chemical and biological research. The major goal of theoretical investigations of chemical or biological processes is to gain a deeper insight into the underlying molecular mechanisms behind the process under study. Next to the scientific value of the acquired knowledge, it can further be used to predict the outcome of future experiments and thus to tailor and improve the efficiency of experimental studies. The first research area in which this strategy was successfully applied on an industrial level was computer-aided drug design. Meanwhile computational investigations are also of increasing importance in the fields of biotechnology, therapeutic medicine, and material sciences.
In the Computational Chemical Biology and Protein Modelling group we focus on the development and application of novel computational approaches to study and understand biological and biochemical processes on various levels. Thus we combine interesting application projects from such different areas like immunology and bioengineering with the development of new methodologies. Our approaches are based on methods from different fields like computational chemistry and biology, theoretical biophysics, and statistics. Important application areas are computer-aided drug design, protein and enzyme engineering, and computational immunology.