Bridging AI and Structural Biochemistry

Project Innovation

We generate accurate AI-based predictions and high-quality models that allow us to deduce new conclusions on novel mechanistic inferences at the molecular level

Continuous Training

Continuous training of students. We trained over 85 students, and coordinate the Master in Computational Biology @UC

Scientific Output

Well-cited top journals in the bioinformatics and computational biology fields (i.e. Gigascience (IF = 9.2), J. Chemoinformatics (IF = 8.6), Cell Reports (IF = 8.8), WIREs Computational Molecular Science (IF = 11.4), Molecular Psychiatry (IF = 11.0), Nano Today (IF = 20.7), and Drug Resistance Updates (IF = 24.3))

High Funding

Above 2.5M euros as team leaders and members of projects that gathered around 7.0M euros.

Facilitators of Scientific Commitees

BioExcel Portuguese Ambassador and 3D-Bioinfo Community/ELIXIR Portuguese Node Representatives/Facilitators


We are bootstrapping a new company (PURR.AI – Pick yoUR bRain)

An array of resources

Data Science/AI

Imagine a world brimming with boundless opportunities and limitless potential enriched by the synergy of AI and structural biochemistry. AI rapidly analyzes complex biochemical data, revealing hidden patterns and accelerating research in previously unimaginable ways.

Structural Biochemistry

Structural biochemistry, in turn, provides crucial insights into molecular structures, enabling precise modeling and predictions. Together, they revolutionize fields such as drug discovery, protein engineering, and personalized medicine, turning the immense promise of scientific progress into tangible breakthroughs that reshape the future