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 and the website at

HADDOCK workshop on information – driven modelling of biomolecular complexes

We are proud to announce that the workshop we are helping organise, on the scope of EJIBCE meeting: “HADDOCK workshop on information – driven modelling of biomolecular complexes”, taking place in Coimbra in the 18 and 19 of december 2019, has been credited with 0.76 UC by “Colégio de Biologia Humana e Saúde da Ordem

PhD Scholarships

We congratulate our collaborators Beatriz, Carlos and António for each winning a FCT scholarship!

COST actions

We are happy to announce that we are now part of two COST actions: CA17104 – New diagnostic and therapeutic tools against multidrug resistant tumors CA18240 – ADHEsion GPCR Network: Research and Implementation Set the path for future Exploration

Christmas Celebrations 2018

At the Christmas party of the Data-Driven Molecular Design, most of the co-workers of our CNC lab were present, and we made a nice picture. From left to right: Carlos Barreto, António Gomes, Manuel Pires, Irina Moreira, Agostinho Lemos, Rita Melo, Joana Mourão, Pedro Filipe, Xavier Pinho and Ana Teresa Gaspar.

New Venue in UC Biotech – Cantanhede

We just moved to UC-Biotech, a research centre in Cantanhede, located in the Biocant Park. You can now find us in UC – Biotech Parque Tecnológico de Cantanhede, Núcleo 04, Lote B, Cantanhede, Portugal.

Postdoctoral positions available

The Data Driven Molecular Design Group is opening two new positions for talented Postdoctoral Fellows, both starting in Q4 2018. The work will be developed at the Center for Neuroscience and Cell Biology – CNC (Coimbra) and the Center for Nuclear Sciences and Technologies – Instituto Superior Técnico C2TN-IST (Lisbon), Portugal. Our research focuses on

Older News

10-02-2018: Our group’ name was changed to DDMD to better fit the current research projects.

25-01-2018: We have an open position for a postdoctoral fellow.

18-12-2017: Carlos, a master student at the lab, won a 7 weeks fellowship to Utrecht under the HPC program.

12-12-2017: We are editing a Special Issue “Modulation of protein-protein Interactions for Development of Effective Therapeutics – from a Joint Perspective of Experiment and Computation” for Current Topics of Medicinal Chemistry.

12-12-2017: The EJIBCE meeting is this year associated to the MOL2NET-03 International Conference Series on Multidisciplinary Sciences.

02-11-2017: A new chapter was accepted at Encyclopedia of Analytical Chemistry: “Computational tools for the structural characterization of proteins and their complexes from sequence-evolutionary data”

01-11-2017: EJIBCE2017 registration is now open.

02-10-2017: A new chapter was just published at Neuromethods.

19-09-2017: A new position for a researcher to join the group is open.

18-09-2017: We welcome Pedro Filipe, a new student in the lab.

15-09-2017: Antonio and Jose just defended their Master thesis, achieving a score of 20 out 20. Congratulations!

11-09-2017: We welcome Nicia Ferreira, a new Ph.D co-supervised in the lab.

06-09-2017: Check new Methods in Cell Biology chapter on GPCRs.

23-9-2017: Check a new paper describing HADDOCK performance in the D3R Grand Challenge 2 published at J Comput Aided Mol Des .

17-08-2017: Check our new Scientific Reports article describing SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS).

17-08-2017: Beatriz Bueschbell, a Trainee from Bonn University will join the lab on September 4th.

17-07-2017: The first paper by two master student’s, Antonio and Jose, is already online. Free available until September 9th in the link above.

09-06-2017: Applications to the 2017 Summer School in Computational Biology are now open.

06-04-2017: Our paper on IJMS is on the top 10% of all research outputs ever tracked by Altmetric.

01-03-2017: A new master student joined the lab.

01-03-2017: A new rotation student joined the lab.

27-12-2016: Our latest paper on IJMS has reached more than 500 views.

23-12-2016: Irina Moreira was selected to an oral presentation at Biophysical Society Meeting 2017.

21-12-2016: Jose Almeida was selected to an oral presentation at EJIBCE 2016.

18-07-2016: Three new collaborative papers were published recently.

01-07-2016: A new graduate student joined the lab.

07-06-2016: Two new masters students joined the lab.

27-11-2015: We have a new position for a researcher to joint the group.

30-10-2015: The third edition of EJIBCE will be held at Coimbra on December 18th.

07-10-2015: Giulia Morra, Irina Moreira and Ozge Sensoy were granted 1.100.000 CPU hours at CINECA by the ISCRA programme.

06-10-2015: IS moreira presented “Structural/energetic analysis of protein-based interactions: highlighting the electrostatics contribution” at the workshop: Multiple Faces of Biomolecular Electrostatics, USA, October, 12th-16th 2015.

08-09-2015: IS Moreira presented “Insights into the plasticity and adaptability of protein-protein interfaces” at the 25 th Intl. BIOMOS Symposium on Biomolecular Simulation, Ausserberg, September, 9th-11th 2015.

01-07-2015:  2015 Summer School in Computational Biology was held at Coimbra (Portugal), September 2-11, 2015. Check the link for more informations:

29-05-2015: Our recent review: “The role of water occlusion for the definition of a protein binding hot-spot” within the special issue “Protein Interfaces as targets in drug discovery” at CTMC is already online.

06-04-2015: We have recently published the paper of the new server to detect Hot-Spots at Protein-Protein and Protein-Nucleic Acid complexes. Please check:

04-04-2015: An experimental collaborative paper was accepted at Chemical Biology and Drug Design Journal.