The main objective of the Computational Biology Laboratory (DLab) is to produce multi-scale computational models to get insights on the fundamental structure and dynamics underlying complex biological phenomena. To do so, we use and produce computer-based simulation tools by combining advanced mathematical modeling, thermodynamics, physics and chemistry, together with high performance computing (HPC) techniques.

Whilst our main goal is to produce a tool for multi-scale simulation of biological systems, we also study processes at single scales. At the micro-scale (atomic level), we use tools from molecular modeling and molecular simulations to understand the physicochemical properties that govern intercellular communication mediated by Connexin channels, trans-membrane transport mediated by Aquaporin and ligand-gated ion channels, and molecular recognition and signal transduction processes mediated by GPCRs.

At the meso-scale (cell level) we use network topology to infer and characterize networks of cell signaling events, gene regulation and neural coordination. At the macro-scale (population level) we use rule-based modeling to study the behavioral adaptation of artificial populations (agents) due to the spread of infectious diseases and information.