Our research employs simulations to explore the molecular forces driving enzyme catalysis of plastics. We rely on electrostatic properties such as dipole moments and electric fields to investigate how enzymes modulate their substrates. Our aim is to improve protein-plastic interactions and enzyme activity, contributing to the development of more sustainable biorecycling technologies aligned with the United Nations Sustainable Development Goals.
We develop additive and polarizable force field parameters for plastic polymers to study protein-polymer interactions. Our goal is to leverage computational methods to advance biorecycling technologies, fostering sustainable practices and promoting a true circular economy for plastics.
A full and updated list of publications can be found here.