Welcome to Coddia®. Coddia illustrates an overview of our research interests, previous and current involvement in the intriguing world of drug discovery. Main focus is ligand identification efforts as well as understanding the relationship between structure and dynamics and the biological effects of membrane proteins.

Reseach interests

Machine Learning and AI

Chemoinformatics and AI-based ML applications for drug discovery

Ligand Identification

Novel compound identification using computational methods

Protein dynamics

Long-scale molecular dynamics simulations and analysis

Protein function

The relationship between structure and function of proteins

Featured article on the discovery of small-molecule inhibitors of the calcineurin-NFATc signaling pathway.

Infographic for our article on computational approaches in target identification and drug discovery.

Focusing in computational chemistry and biology, the groups’ mission is the understanding the molecular basis of particular biological systems, design of in silico drug discovery pipelines towards targeting proteins of pharmaceutical interest with novel compounds.

Pipelines and Tools