Katharina submitted her Bachelor thesis on kinase ligand generation

We are happy to annouce that Katharina successfully submitted her bachelor thesis ‘Novel Kinase Ligand Generation using Subpocket-Based Docking’. Within this thesis, we developed an approach to automatically and efficiently generated novel kinase inhibitors using the structural information of the protein kinase target of interest. We make use of the prior knowledge about kinase ligands and the information on functional important subpockets/regions of the highly conserved kinase binding pocket.

Katharina will continue her work as a student researcher at the Volkamer Lab to refine and improve the pipeline, e.g. adding a feature to enhance the diversity of generated ligands. In addition, we are working on a case study with our collaberation partners for experimental validation.

Here is more information about the subpocket-based project.