Advancing biomolecular simulations: from RNA to protein dynamics
In this presentation, I will share my journey from my PhD at SISSA to my current postdoctoral research in Switzerland. Under the guidance of Prof. Giovanni Bussi, my PhD projects at SISSA centered on refining RNA force fields by integrating experimental data into molecular dynamics simulations. Now, as a PostDoc in Prof. Francesco Gervasio’s group at the University of Geneva, we are working on proteins dynamics with a focus on pharmaceutical applications. Research revolves around methods for enhanced sampling techniques and fine-tuning protein language models (PLMs) to uncover hidden binding sites, potentially expanding the druggable proteome. The talk will have intersections of molecular dynamics, machine learning, and drug discovery.