Data-Driven Molecular Design


About us

In our lab we are integrated in multidisciplinary projects centered on two major themes for which we established a network of international and national collaborations, both experimental and theoretical. In fact, we lead teams of geographically distributed researchers with very diverse scientific backgrounds to work at the interface of Computer Science and Structural Biology.

The Group in Numbers


Euros - Funding

CPU hours - HPC funding


Gromacs Workshop

We are hosting the  online event: Gromacs Wokshop – a collaboration between BioExcel and national europhc competence center.

New Book!

Our new book “Computational Design of Membrane Proteins” is out!  

VIRHOSTAI – virus-host interactome project driven by AI approved

Our project, VIRUSHOST AI, which has recently been approved, will make use of Artificial Intelligence to unveil virus-host interactome, under the scope of national funded COVID-19 projects, having been funded with 240.000 euros and 20.000 GPU hours. See the full news here: https://observador.pt/2020/11/05/cientistas-da-universidade-de-coimbra-usam-dados-e-inteligencia-artificial-para-combater-pandemia/. 

Contact us