Dr Edina Rosta
Department: Physics & Astronomy
The formation and cleavage of phosphate bonds are essential in most biological processes including reproduction, protein synthesis, signal transduction, energy storage, and transfer. We use computational methods to help reveal the molecular mechanisms of how enzymes can achieve both a high efficiency and specificity catalysing phosphate hydrolysis and transfer reactions.
Protein Folding, Protein-Protein Interactions, Embedded-Atom Methods, Implicit Solvent Methods, Parallel Tempering, QM/MM, Biomolecular Systems