Maria Nuria Peralta-Moreno

The multimerization pathway of the glucocorticoid receptor Abstract. The glucocorticoid receptor (GR) is a leading drug target due to its antiinflammatory and immunosuppressive roles. The functional oligomeric conf

🎯 We are incredibly thrilled to share our newest paper on #NucleicAcidsResearch on Glucocorticoid Receptor Multimerization 👇
academic.oup.com/nar/article/...

@ibub-ub.bsky.social @bqbiomedmolub.bsky.social @biologiaub.bsky.social @www.pcb.ub.edu

💡 The result: 102 CCS reference values that can support future toxin screening in complex environmental samples!!

📍 Sample origin: Sant Andreu de Llavaneres (Barcelona, Spain)

👩‍🔬 This study is the first to explore the ion mobility spectrometry (IMS) behavior of these compounds—by the use of DTIMS, TWIMS, and TIMS techniques—to tackle this complexity head-on. In this scenario, molecular dynamics simulations revealed molecular folding in the gas phase.

🔍 This open-access study tackles the analytical complexity of palytoxin-like compounds—potent marine toxins with multiple chiral centers that make separation by liquid chromatography and mass spectrometry identification a major challenge.

Ion mobility–mass spectrometry of palytoxin-like compounds produced by Ostreopsis cf. ovata - Analytical and Bioanalytical Chemistry Palytoxin (PLTX) and its analogues from Ostreopsis cf. ovata are significant health concerns. They show potent vasoconstrictive properties, often causing seafood poisoning. PLTX analogues have chiral ...

🚨 New paper alert!! 🤭🥳
🌊🧪 Ion mobility–mass spectrometry of palytoxin-like compounds produced by Ostreopsis cf. ovata🧪🌊

🔓 Open access: link.springer.com/article/10.1...

Huge thanks to all authors, especially to Prof. Dr. Encarna Moyano and Noemí-Inmaculada Pérez. It was a real pleasure!!

Her computational study was aimed to provide insights into molecular glues, opening the door to new perspectives in the field and building a deeper understanding of their therapeutic potential.🔬✨

Her dedication and perseverance truly paid off — now is time for some well-deserved holidays!!🤿☀️

🎉 Huge congratulations to our student Anna Camprubí from the Master in Computational Biology at the Universidad Politécnica de Madrid for successfully defending her master’s thesis on Monday!

Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sites Diverse computational methods to support fragment-based drug discovery (FBDD) are available in the literature. Despite their demonstrated efficacy in supporting FBDD campaigns, they exhibit some drawb...

Here's more detailed information about the main methodology, if interested!

Fragment dissolved Molecular Dynamics: A systematic and efficient method to locate binding sites.

doi.org/10.1039/D0CP...

Stay tuned for more information!! New publications coming soon!! ✨🚀

🎓 A big congratulation to our Master student Marc Romera Rivas, for successfully defending his thesis last week! 🥳✨

His work applying the fragment dissolved Molecular Dynamics (fdMD) methodology, has led to more accurate predictions of favorable protein-ligand interactions.

#fdMD #FBDD #IQTCUB

It's always a privilege to work closely with all of you through innovative, interdisciplinary collaboration. Every effort (even the smallest step) is what drives us to move forward, allowing us to contribute, little by little, to the progress of science. ❤️❤️

We are very proud to support a new generation of brilliant students, and celebrate the excellent master thesis projects of Josep Ponsetí and Pilar Montanyà, from Eva Estébanez-Perpiñá lab! 🥳
@estebanezlab.bsky.social

We are very proud to be part of your research journey!! let's rock science!! 🥳🚀✨

Insightful talk by Miquel Duran-Frigola at the #LED3LUCID Symposium. He talked about making powerful computational tools available to researchers in the Global South through the Ersilia Open Source Initiative. (1/3)
www.nature.com/articles/s41...

Last day of the "AI in Drug Discovery and Biomedicine" @irbbarcelona.org #BarcelonaBioMed Conference full of interesting talks and excellent speakers!!

Rocío Mercado gave her talk as an invited speaker at the "AI in Drug Discovery and Biomedicine" IRB Bcn BioMed Conference.

Yesterday it was a pleasure to attend Rocio Mercado's talk on "Generative AI for Molecular Engineering". 🖥️💊✨

Having been supervised by her during a short research stay at Chalmers, I can truly say she is a scientist who inspires excellence and kindness in everything she does! 🚀💕

@irbbarcelona.org

Invited Speaker Francesca Grisoni giving a talk about chemical space exploration with AI.

Amazing and impressive talk of Francesca Grisoni today! @fragrisoni.bsky.social

I'm very happy to be attending this incredible conference. It is a privilege to be part of this! 🖥️💊✨

Ola Engkvist from AstraZeneca giving a talk on "Applying ML/AI to drug design".

Exploring ML/AI’s role in drug design at Ola's talk at the "AI in Drug Discovery and Biomedicine" @irbbarcelona.org conference. Innovation awaits! 🖥️💊✨

#BarcelonaBiomed

Noelia Ferruz talking about "Controllable protein design with language models"

🚀 Attention is all we need! 🤖

The AI revolution is here, and it's reshaping the way we live, work, and do science!

#BarcelonaBiomed

Session III of the conference, Víctor Guallar's Talk.

2nd day at the "AI in Drug Discovery and Biomedicine" @irbbarcelona.org Conference!! 🖥️💊

Casa Convalescència, Hospital Sant Pau, BCN (Spain).

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