Nanoplastics are specks of plastic a million times smaller than a millimeter. Recently, researchers found nanoplastics in our food, organs and even in the placenta. Nanoplastic accumulation can lead to organ failure and reduced coordination and memory in different animals. Scientists do not yet understand how nanoplastics trespass the protective cell layer around our organs, the endothelium. Here, I use computer simulations to discover how nanoplastics weaken key adhesive, i.e., junctional, proteins in the endothelium. With artificial intelligence I can obtain insights about these processes and identify the most damaging nanoplastics; providing valuable information for biomedicine and public health.

Molecular dynamics simulations is a powerful tool used to understand how molecules behave over time. These simulations provide detailed insights that are hard to get through experiments. However, some processes take very long, or involve many particles, making the simulations difficult or impossible to perform,. even on supercomputers. To tackle this, this project will use two approaches: boosting efficiency by focusing on important changes, and simplifying the system to simulate bigger and longer events. Both methods will be enhanced using machine learning. The research team has strong experience with these approaches, especially in applying them to biological systems.

In all forms of life, molecular motors are indispensable for transporting molecular building blocks inside cells, for maintaining DNA, and for generating (muscle-based) motion. Only recently, mankind has developed the ability to build synthetic molecular motors and machines and to control these with light. In this project, researchers from various disciplines will join forces to unravel the design-principles of synthetic nanomachines, to design motorized nanoscale building blocks and to demonstrate the first light-controlled artificial muscles and conveyor belts. These discoveries enable mankind to pursue new applications such as in nanomedicine and in the design of adaptive, mobile, and self-healing materials.