PhD in Computational Prediction of Nanoplastic Impact on Protein Function

What are you going to do

This project focuses on developing and applying a forefront computational framework for predicting nanoplastic impact on protein function. You will: 
• Automate descriptor discovery for chemical and conformational transitions of proteins interacting with nanoplastics;
• Perform machine learning-augmented free-energy calculations;
• Build predictive models to effectively screen for relevant nanoplastic-induced changes in a protein’s free-energy landscape;
• Apply the framework to various nanoplastics and proteins to deliver actionable predictions for medical centers, policy makers and plastic manufacturers. 

Tasks and responsibilities: 
• Conduct independent research in the Computational Soft Matter Lab;
• Collaborate with the Computational Chemistry group at HIMS, the Computational Science Lab at IvI, and experimental groups at HIMS, the Institute of Physics (IoP) and the Amsterdam ...