Computational Enzymology and Protein Engineering

Computer screen with molecules

Our goal is to develop methods for rational design of pharmaceuticals and functional proteins specially adapted for various applications in medicine and biotechnology.

In our research, we use computational modelling and simulations to improve our understanding of how small and large molecules interact with each other and how dynamics and functionality are affected by their structures. We are particularly interested in understanding the underlying molecular mechanisms that regulate binding, inhibition and catalysis of ligands in proteins. Through collaborations with experimental groups, we can compare our predictions with experiments, and thereby improve our models and develop new methods for calculating physico-chemical properties that expand our understanding of different biological systems.

Read more about our research

Looking for a degree project?

Are you an engineering or master's student with a special interest in programming, molecular modelling or computer simulations and want to do a degree project in our group? We can design a project that suits you based on your interests and prior knowledge.

Please contact Yasmin Binti Shamsudin for more information.

Last modified: 2022-02-01