Irina Moreira is now vice-president of  

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: 

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

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.