We are delighted to introduce the next contribution to our New Principal Investigators collection.
Read the paper
Computational design of Bax-inhibiting peptides
Tom Vlaar, Bernadette Mayer, Lars van der Heide and Ioana M. Ilie
We have developed an innovative computational pipeline for peptide design, integrating rational design principles with advanced computer simulations to develop and optimize peptide binders prior experimental validation. Our approach focuses on designing high-affinity cyclic peptides that selectively bind to Bax, a key pro-apoptotic protein also implicated in neuronal cell survival, hence linked to Parkinson’s disease. This work contributes to a broader vision: creating a machine learning-driven platform that seamlessly integrates multiscale computational modeling and experimental data to accelerate the discovery of peptide-based binders.
Meet the Principal Investigator
You recently started your own group – what are the big research question(s) that your group will be focusing on?
Our work sits at the intersection of physics and chemistry, combining principles from both disciplines to develop advanced computational tools for biomolecular understanding and engineering. By integrating the fundamental laws of physics with the complexities of chemical interactions, we gain a deeper understanding of biological systems and design innovative solutions for biomedical and technological challenges. In essence, my lab develops the computational tools to engineer biomolecular systems across various scales, from nano- to macro. In this context, in the coming years, we will focus on learning from biological systems and their behavior in complex biological environments to engineer bioinspired modulators, including peptide-based therapeutics, with targeted applications in neurodegenerative and cancer-related diseases. Additionally, we will capitalize on this to develop intelligent (bio)materials with brain-like properties, i.e., tunable, responsive and adaptable, paving the way for breakthroughs in advanced biomedical and technological applications.
What inspired you to get into science?
I got into science to make a difference and contribute to the wellbeing of our society.
What advice would you give to those who are seeking their first group leader position?
Be patient and persistent.
