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🧪🖥️💊 Check out our new publication!! Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 Mpro Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation mdpi.com/2814112 #mdpiijms vía IJMS MDPI

From a virtual screening of the Dark Chemical Matter database to a final in vitro testing, our latest study in the IJMS journal identifies a promising compound with inhibitory activity with a Ki value of 48 ± 5 μM against SARS-CoV-2 Mpro. 🧪 #DrugDiscovery #COVID19Research”

The Dark Chemical Matter database is a set of drug-like compounds that, despite exhibiting outstanding selectivity profiles, have never shown bioactivity. Thanks to computational tools and in vitro testing, we have contributed shedding light into Dark Chemical Matter compounds.

New paper finally out!! 🤭🎉🎉 Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 Mpro Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation Special thanks to IJMS MDPI IQTCUB & PhD supervisors Jaime Rubio and José M. Granadino

Happy to be selected for a Munich Quantum Valley -Lighthouse project. With KID-QC^2 we're aiming to further automatize circuit construction for electronic structure by teaming up with the Fraunhofer IIS (group of Daniel Scherer). Great to have students that take care of social media :-)

Reciclar és clau per un futur més verd. Però qui diu que només podem reciclar brossa? En la meva tesi, estic buscant la manera de reciclar el CO₂, un gas que contribueix a l'efecte hivernacle, però que llancem en grans quantitats a l'aire cada dia. Comencem el #HiloTesis!

El David Vázquez busca la manera de reciclar el CO₂, gas d’efecte hivernacle, fent-lo reaccionar amb catalitzadors. x.com/DavidVazquez82… #HiloTesis David Vázquez Parga Facultat de Química UB

Glad to present my Research results on the STC 2024, thanks all for your questions. Hope to come back in a future.

The 24th #EuroQSAR Symposium, entitled "Synergizing AI and Multiscale Modeling for Drug Discovery", is about to start! It is a pleasure to be here as a PhD student to learn and meet such talented and outstanding scientists in the field! Way to go! 🙌🙌🚀✨✨

Good morning from BCN, on the last day of the 24th #EuroQSAR simposium!

Our latest preprint is already available 🥳🥳🥳

It’s been fun to attend the “2a Reunió de Química Teòrica i Computacional” organized by the Societat Catalana de Química and share some of our research at ICMol. It was also really nice meeting and catching up with Daniel Escudero Masa for the first time since more than 2 years!

Congratulations to María Nuria Peralta Moreno diegonti.py and Pau Franquesa for their SCQ Poster and Flash Communication Prizes!! iqtc.ub.edu/news/scq-poste…

🚀 Big news! easyPARM is now in JCTC!🎆Parameterizing metal complexes in Amber just got way easier.🪄 Huge thanks to my supervisor Antonio Francés & my amazing group QCEXVAL —couldn’t have done it without you! pubs.acs.org/doi/full/10.10… #CompChem #MolecularModeling #easyPARM #JCTC

It's a great pleasure for me to attend the "AI in Drug Discovery and Biomedicine" IRB BioMed Conference in such a beautiful scientific environment and placement. Let's do Science! 💊🖥️ IRB Barcelona