M.Sc. Bioinf. Joel Graef
Methods for geometric searching in protein structure collections
Understanding and manipulating protein function requires extensive structural knowledge of protein binding sites. Despite significant growth in the number of available protein structures and improvements in data quality, there are only a small number of tools that enable geometric data mining of protein-ligand interfaces with the addition of chemical descriptions. By developing new algorithms and using database technologies, we aim to enable fast and flexible geometric searches in protein-ligand and protein-protein interfaces.