30 maig, 2025. 11:00 | Sala Multimèdia IQS
IX lecture of the ChemBioEng IQS Talks series: “How to computationally generate efficient enzymes?” by Prof. Sílvia Osuna
Prof. Osuna – ICREA Professor at Universitat de Girona and a leading expert in the computational design of enzymes – will present an overview of rational approaches to design enzymes with allosteric activity modulation.
These approaches rely on inter-residue correlations derived from microsecond time-scale Molecular Dynamics (MD) simulations, enhanced sampling techniques, and more recently, the development and application of template-based AlphaFold2.