Computer Simulation of Biological Processes
This project focuses on the development and application of software tools for simulating biological systems on a computer, with the aim of explaining the behavior of a given process. The techniques range from detailed QM/MM (quantum mechanics/molecular mechanics) and dynamic models of proteins to multiple-scale approaches that combine, for instance, diffusion models with cellular automata (e.g. brain tumor simulations). Recent applications have been concerned, among other things, with the enolization chemistry of thioester-dependent racemase, a proteome-wide analysis of lysine acetylationanalysis, and investigation of the structure and function of the T-cell receptor.
Last updated: 28.10.2016