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

Publications

Euros - Funding

CPU hours - HPC funding

News

Potassium channel dysfunction in models of neurodevelopmental disorders

The Data-driven molecular design group, lead by Irina Moreira, PhD, is part of a project awarded with funding by LaCaixa Foundation and Fundação para a Ciência e a Tecnologia, I.P. by “Iniciativa Ibérica de Investigaçao e Inovaçao Biomédica, i4b”

Cutting-Edge Virus-Host Interactome Discovery: A Multi-Omics AI Driven Approach

We are proud to annouce that Catarina Marques, our recently added team member, has won a PhD scholarship under the DOCTORATES 4 COVID-19 project.

New Chapter – Deep Learning Chapter for Protein Hot-Spot Prediction

“Predicting Hot Spots Using a Deep Neural Network Approach” is our latest chapter, check the publication at https://link.springer.com/protocol/10.1007%2F978-1-0716-0826-5_13

New Publication – Dopamine Receptors and Intracellular Partners

“Understanding the binding specificity of G-protein coupled receptors towards G-proteins and Arrestins: application to the dopamine receptor family” is our latest publication, check the publication at https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00371 and the website at http://www.moreiralab.com/resources/dxr/