» Back to overview
Proposing Institution

Pharmazeutische Technologie,LMU
Project Manager

Andreas Tosstorff
Butenandtstr. 5
81377 München
Until now, computational methods and especially molecular dynamics are not established as tools in late stage development of biopharmaceuticals. Most of the time, the stabilization of antibodies and other biopharmaceuticals is based on empirical data requiring a high amount of costly experiments. By using computational methods, this process can be shortened, rationalized and become less expensive. Our group is well experienced in development of stable protein formulations. By participating in the Summer of Simulation 2017 we hope to be able to show that molecular dynamics can add value to the drug development process.Here, we propose a new application for MD simulations: by simulating different formulations, we want to predict the most stable formulation of our drug protein. The protein we will consider for our study is a chimeric, 31 kDa metallo-protein currently in pre-clinical trials for the eradication of infections of multi-resistant bacteria. Our contribution to the drug’s development is focused on finding a stable liquid formulation. We already generated a solid data set and gained a lot of experience concerning the protein’s behaviour in a variety of conditions. Additionally, a number of analytical methods to determine the protein’s stability have been established.For the MD simulations we propose to predict Tm values of our protein for a specific formulation already tested in our lab and in a next step examine the potential of our method to further optimize formulations. Specifically we want to run REMD simulations of our protein in a HEPES, Arginine and sodium chloride buffer.

Impressum, Conny Wendler