September 2020

A secret code regulating the cell behaviour

Check out our new paper in Science Advances.

GPCRmd ( contributes to the fight against the COVID-19 pandemic within the framework of Exscalate4COV by applying their expertise to develop a web platform for the dissemination of molecular dynamics simulations for SARS-CoV-2 related proteins. For that, it provides a collection of online tools to easily visualize, analyze and share such data.

Stay tuned! It will be soon online!

July 2020

Thanks to the GPCRmd community for the efforts and contribution! Our paper “GPCRmd uncovers the dynamics of the 3D-GPCRome” is now online in Nature Methods.

You can read about the story behind our paper here.

June 2020

COVID-19: First candidates are tested in cell-based assays (see progress)

April 2020

COVID-19: Follow the progress of our project “Dual strategy for inhibiting the infectious cycle of SARS-CoV­2 – Project Progress”

Check out the lastest update of GPCRmd: GPCRmd is an online platform with web-based visualization capabilities and a comprehensive analysis toolbox that allows scientists from any discipline to visualize, inspect, and analyse GPCR molecular dynamics.

New publication in ACS Pharmacol. Transl. Sci. 2020 highlights the objectives of ERNEST: The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling

March 2020

Due to COVID-19, our meeting has been hold online! The program and all recordings can be found here.

October 2019

join us at this meeting!

September 2019

This study provides strong evidence that distinct activation states of beta-arrestin are key for different functional outcomes.

Within this study, molecular simulations reveal at an all-atom level the impact of different activation states of beta-arrestin on the recognition of Fab30. We find that smaller interdomain rotation angles (lower than 11.1 degrees) result in instability of the beta-arrestin-Fab30 complex (measured as RMSD – right panel). Such complex instability is due to clashes between the N-domain (red surface) and the Fab30 (green surface) which are induced by interdomain rotation.

July 2019

New insights into A highly conserved δ-opioid receptor region determines RGS4 interaction has been obtained in close collaboration with Dr. Zafiroula Georgoussi (accepted in FEBS).

Molecular dynamics simulations and mutagenesis studies defined two critical residues governing RGS4-δ-opioid receptor (δ-ΟR) interaction: one  between Phe329 of helix 8 of δ-ΟR and Pro9 of the N-terminal region of RGS4, and another between Glu323 of δ-ΟR and Lys17 of RGS4. The high degree of conservation among opioid receptors points to a conserved interaction mode between opioid receptors and RGS4 and allows drafting a model of a ternary complex of δ-OR-Giα-RGS4.

June 2019

Recent findings on the “Functional Dynamics of Visual Arrestin” are presented in the EMBO Workshop in Nové Hrady. This work is done in close collaboration with Dr. Martha Sommer from the Charité Berlin.

March 2019

The European Research Network on Signal Transduction (ERNEST) will focus on elucidating how transmembrane signal transduction networks function on the molecular, cellular and physiological level.

Just accepted manuscript in Free Radical Biology and Medicine: “The antioxidant resveratrol acts as a non-selective adenosine receptor agonist” in collaboration with  José Luis Albasanz and Mairena Martín from the Universidad de Castilla-La Mancha.

Resveratrol binding to the A2AR

January 2019

Course of Structural Biology at the Pompeu Fabra University starts on  January 7th, 2019. Time:  12:00, Location: AULA 61.303.

September 2018

Course of Introduction to Drug Research and Development at the Pompeu Fabra University starts on  September 25th, 2018 at 17:00, Location: AULA 61.206.

July 2018

The GPCR simulation project is presented at the Early Career Scientist Forum on GPCR Signal Transduction (ECSF-GPCR) (click).

March 2018

The GPCRmd database (  First structures of the GPCR simulation project are uploaded (click).

January 2018

Course of Structural Biology at the Pompeu Fabra University starts on  January 8th, 2018. Time:  12:00, Location: AULA 61.303.

September 2017

UPF Course “Drug Research and Development” starts on September 26th, 2017. Time: 17:00, Location: AULA 61.127

June 2017

Check out the first prototype of GPCRmd here!

March 2017

The GPCRmd database ( will be presented at the GLISTEN Symposium in Porto , Portugal, on 29-31 March 2017 (click).

February 2017


January 2017

Course of Structural Biology at the Pompeu Fabra University starts on the 9th of January 2017!