February 2023

Teaching session at the University of the Basque Country UPV/EHU on Feb 15th

Visualization and analysis of receptor dynamics (download material)

Next GPCR ECI Zoominar on Feb 9th

Click here to join.

Registration for the 8th ERNEST conference is open!

Click here to register.

January 2023

Structural Biology course 2023 has started (link)

March 2022

The European Research Network on Signal Transduction (ERNEST) has established an Emergency Fund for Ukrainian researchers.

For more information visit this website.

January 2022

New online tool for predicting the impact of SARS-CoV-2 mutations on its protein components

Applying our developments to the SARS-CoV-2 pandemic, we succeeded in reconstructing the dynamics of the SARS-CoV-2 proteome. This work has been selected to be a “breakthrough article” by the editorial team of Nucleic Acid Research for the advances in determining variant impact on protein function.

Mariona Torrens-Fontanals, Alejandro Peralta-García, Carmine Talarico, Ramon Guixà-González, Toni Giorgino, Jana Selent, SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions, Nucleic Acids Research, 2022

Entrectinib—A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells

Combined efforts of researchers of our group with InterAx Biotech and the Vall d’Hebron Institut de Recerca have led to the identification of anti-SARS-CoV-2 activity for the FDA-approved drug entrectinib  in human lung tissue cells. You can read the full article here.

August 2021

Our recent article has been featured on an inside cover in Chemical Science

Recent data on “A common molecular mechanism regulates the coupling response of monoamine neurotransmitter receptors” is presented at the IUPAC | CCCE 2021 (August 13 – 20, 2021)

Check out our new discoveries about neurotransmission!

June 2021

First ERNEST Training School

Computational Tools to Study GPCR Signaling:
From the Genomic to the Systems Level

February 2021

Recent updates: Our COVID research in collaboration with InterAx yields 3 promising drug candidates that inhibit cell entry of SARS-CoV-2 (see project progress).

January 2021

Structural Biology course 2021 has started (link)

September 2020

A secret code regulating the cell behaviour

Check out our new paper in Science Advances.

GPCRmd (www.gpcrmd.org) 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 (www.gpcrmd.org):  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 (www.gpcrmd.org) 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!