Last week, Patricia, Álvaro, and Blanca visited a Chemistry Institute in Girona, where we gave a talk about the type of research we do. We also presented a case study on a protein that has been extensively studied in our group. We hope the students enjoyed the session and, most importantly, that they learned something […]
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Yesterday, the members of the CMD lab gathered once again with our colleagues from the CBDD group for our periodic technical meeting, this time at the Faculty of Pharmacy. The meeting featured a technical session focused on Free Energy (FEP/TI) Alchemical Calculations, where we explored different methodologies and shared insights on their applications. Additionally, researchers […]
Read More →A part of our group had the opportunity to attend the 2nd Reunió de Química Teòrica i Computacional (RQTC), organised by the Catalan Society of Chemistry (SCQ). The event took place on January 27–28 at the IEC, in the center of Barcelona. This meeting was a fantastic opportunity to engage in discussions and share research […]
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We are excited to announce that we just released a new preprint titled “A novel bottom-up approach to find lead-compounds in billion-sized libraries“. In this work we used a hierarchy of computational methods to prospectively identify (and validate experimentally) 19 BRD4 (BD1) binders while throughly exploring the 1% most promising space of the Enamine REAL […]
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Today, our colleague Patricia presented part of her research project during the final Seminar of the year at the Institute of Theoretical and Computational Chemistry (IQTC). Her presentation, titled “Understanding the Role of H-Bonds in the Stability of Molecular Glue-Induced Ternary Complexes”, showcased three examples of systems containing molecular glues. These examples highlighted the potential […]
Read More →At the IQTC Meeting 2024, held on October 30th and 31st, members of our group had the opportunity to present our research posters and engage with fellow researchers and students from the institute. The event allowed us to share our findings, exchange ideas, and broaden our perspectives on topics of interest to the community. It […]
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Last week, the PhD students of our research group organized a fun and collaborative team-building activity to celebrate the traditional “Castañada.” We joined other doctoral researchers from the same field to prepare delicious panellets, a local pastry, and enjoy roasted chestnuts and sweet potatoes, typical of the region. It was a great opportunity to connect […]
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We are very happy to announce that our colleague Álvaro Serrano Morrás has successfully defended his doctoral thesis, obtaining the grade of Cum Laude. The defense took place on Friday, September 11, overseen by a committee made up of Prof. F. Javier Luque, Prof. Giulia Caron, and Dr. Julian Fuchs. We thank them for their […]
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Last Friday, September 27th, we celebrated the European Researcher’s Night at CosmoCaixa. For the occasion, we organized a fun activity aimed at all the families who came to enjoy learning about science. Thanks to the hard work of the ALLODD (Allostery in Drug Discovery) program team and the generosity of the IQTC (Institute of Theoretical […]
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This past week, the 24th EuroQSAR Congress took place in Barcelona. From our group, Patricia, Blanca, Varbina, and Jordi attended. Varbina gave a presentation in the session on New Drug Modalities, where she discussed her project on Allosteric Ligands for Fbxw7 E3 Ligase. Jordi, Patricia, and Blanca each presented a poster on their respective projects. […]
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