PI: Professor Adrian Mulholland and Co-I: Dr Adrian Bunzel
This project is focused on the computational design of photocatalytic nitrogenases for sustainable ammonia synthesis. Ammonia is a key fertilizer ingredient and essential to feed the world population. It is industrially synthesized via the Haber-Bosch process, which consumes ≈2% of globally produced energy. By harnessing photocatalysis, the designed nitrogenases promise a new, sustainable, ‘green’ route to ammonia, to combat the urgent challenges of the energy and climate crisis.
Using computational design tools, the post holder will redesign natural nitrogenases to equip them with photocatalytic activity. They will test and refine the models using molecular dynamics simulations, and will collaborate with experimentalists, who will test the most promising designs in the lab. This will allow the optimization of the design approach, refinemnt of the designs and will contribute to the creation of photcatalytic nitrogenases, as part of a developing research programme.
The ideal candidate would have a PhD in Biochemistry, Chemistry or related field and expertise in biomolecular simulation, protein chemistry or enzymology. Experience with the Rosetta protein design software and/or molecular dynamics simulations of biomolecules would be advantageous but is not essential.