Hybrid methods

Hybrid methods

Bridging the resolution gap with hybrid methods
Protein modeling

Protein modeling

Modeling protein structures and their interactions
Multiscale dynamics

Multiscale dynamics

Exploring the macromolecular biomachines dynamics
Drug Discovery

Drug Discovery

Computer-aided rational drug design and discovery

Drug Discovery

Structure-based drug design and protein ligand docking are effective and low cost strategies for drug discovery. Our group employs and develops computer-based methodologies to aid the structure rational design of new active compounds.As developers, we are particular interested in virtual screening in where the most interesting and promising ligand molecules are computationally selected from very large libraries of compounds. As users, we are actively collaborating in multidisciplinary drug discovery projects using the state of the art bioinformatics tools.