Projects

We develop and adapt custom computational solutions to meet scientific, academic, and technological demands.

We apply computational approaches to identify, analyze, and optimize bioactive molecules in the context of rational drug design.

We explore the molecular mechanisms underlying biological and physicochemical processes through theoretical and computational approaches.

We use quantum mechanics methods to investigate electronic properties, reactivity, and molecular interactions at the atomic level.

We study the large-scale organization, modeling, and structural analysis of proteins to better understand their functions and interactions.

We bring together complementary projects and interdisciplinary initiatives that broaden the laboratory’s scope of activity.