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Identificazione di nuovi inibitori altamente selettivi dei trasportatori Asp/Glu mediante docking molecolare e saggi di trasporto in vitro presso Dipartimento di Bioscienze, Biotecnologie e Biofarmaceutica
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The ES-Cat project is an EU-funded collaboration between European laboratories working on protein engineering. It is coordinated by the University of Cambridge (F. Hollfelder). It is aimed to develop high-throughput directed evolution methods to obtain improved enzymes for use in biocatalysis. My work as Marie Curie-ESR in Groningen (prof. DB Janssen) contributes to the overall project goals by exploring the integration of computational methods in laboratory evolution. The work includes approaches aimed at improving enzyme robustness and controlling enzyme selectivity, as well as solving crystal structures of mutant enzymes. My work mainly involves computational design, molecular dynamics simulations, computational chemistry and enzyme engineering. During my PhD I had the opportunity to collaborate with different groups, particularly I was visiting researcher at the University of Stockholm, University of Muenster, and at the DSM Biotechnology center (Delft, NL).
-> Previous experience in molecular docking, virtual screenings and wet-lab (SDS-PAGE electrophoresis, protein expression and purification, in vitro transport assays with radiolabeled ligands, enzyme activity, western, oxyblot) under the supervision of prof. Ciro Pierri, prof. Anna de Grassi and prof. Carlo Marobbio.