PhD Position in Computational Chemistry and Artificial Enzymes at Universitat Jaume I, Spain Universitat Jaume I in Spain

The BioComp group at Universitat Jaume I in Castellon, Spain, is announcing an upcoming 4-year PhD position funded by the Santiago Grisolía grant, supported by the Generalitat Valenciana. The research project, titled "Unveiling the Mechanisms of Artificial Enzymes: A Computational Perspective on Structure and Kinetics," focuses on using advanced computational chemistry tools to study artificial enzymes. The project aims to understand the catalytic mechanisms and structural features that enable artificial enzymes to perform new-to-nature chemical processes, contributing to sustainable chemistry and enzyme design.

The research will involve applying multiscale computational methods, including molecular dynamics (MD) simulations and QM/MM potentials, to explore chemical transformations in protein active sites. Analytical tools will be used to investigate the role of protein electrostatics and conformational changes in catalysis. The ultimate goal is to identify and quantify the key physical and chemical properties responsible for catalytic improvements, which can inform the design of novel enzymes with enhanced or new functions.

This opportunity is open to predoctoral researchers who have obtained both a Bachelor's and a Master's degree in a scientific field relevant to the project from institutions outside the European Union, with studies completed after January 1, 2021. The position is fully funded, offering a competitive salary and a one-time relocation allowance. The BioComp group is led by Dr. Katarzyna Świderek, an expert in computational chemistry and enzyme mechanisms. The group collaborates on projects such as DeProtCa and StopProt, and has a strong publication record in top journals.

Interested candidates should contact Dr. Katarzyna Świderek at [email protected] for further details and monitor the BioComp group website for the official application call. This is an excellent opportunity for candidates with a strong background in computational chemistry, molecular modeling, or related fields to contribute to cutting-edge research in artificial enzymes and sustainable catalysis at a leading Spanish institution.