Research
At the Computational Biomolecular Engineering Laboratory @ IPLuso, we aim to advance the understanding and engineering of biomolecular systems through the integration of computational biology, biophysics, and artificial intelligence. Our research is centered on protein discovery and engineering, as well as structure-based drug discovery, with the goal of developing innovative therapeutic strategies and biotechnological solutions. By combining molecular modeling, simulation, and data-driven approaches, we seek to accelerate the design of novel biomolecules and targeted therapeutics for applications in health and biotechnology.
Protein Discovery and Engineering
Structure-Based Drug Discovery
Our research group is dedicated to advancing the field of computational drug discovery through the development and application of innovative hybrid methodologies that combine physics-based molecular modelling approaches with state-of-the-art artificial intelligence and machine learning techniques. By integrating these complementary paradigms, we aim to create robust, predictive, and scalable computational frameworks that address key challenges in modern drug discovery and accelerate the identification and optimization of novel therapeutic agents.