El pròxim dimarts, 17 de juny, tindrà lloc l'acte de defensa de la Tesi Doctoral amb titol: “Modelling Asparaginases for Leukemia Treatments: Multiscale Simulations as a Guide for Enzyme Design”, per Milorad Andelkovic.

Aquesta tesi ha sigut dirigida pels profesors Iñaki Tuñón i Javier Ruiz Pernía. L'acte de lectura de la tesi tindrà lloc a les 10:30h al Saló de Graus de la Facultat de Química (Edifici E, 1er pis).

Abstract resumit:

Dive into the molecular world of L-asparaginases, hydrolase enzymes that play a crucial role in leukemia treatment. This thesis unravels their catalytic mechanisms, revealing how their oligomeric structure is intricately linked to their enzymatic activity. Through molecular simulations, quantum mechanics and free energy calculations, we explore the forces driving enzymatic activity and stability. Guided by all these insights, we used a deep-learning-based approach to redesign the native enzyme - paving the way for more effective leukemia treatments.