BioExcel CoE @BioExcelCoE
Centre of Excellence supporting high-performance computing in biomolecular research. Funded by @EuroHPC_JU and member states 🇸🇪 🇳🇱 🇩🇪 🇪🇸 🇫🇮 🇳🇴 bioexcel.eu Europe Joined November 2015-
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Last chance to register ❗️ Our special edition webinar featuring talks on #topoisomerase inhibition, transmembrane #signalling and #membrane multilamellarity is this afternoon at 15:00 CEST Register here ➡️bioexcel.eu/ion8
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Happening next week! Our 23-September, special edition webinar will feature talks on topoisomerase inhibition, transmembrane signalling and membrane multilamellarity Register here ➡️bioexcel.eu/ion8
5⃣ Featuring the fifth of our showcase projects Our automated pipeline, built on BioBBs, uses #AlphaFold, MD simulations, and virtual screening to output a list of ligand poses ➡️ bioexcel.eu/1c1j #DrugDiscovery #Workflows #CADD #VirtualScreening
4⃣ Featuring the fourth of our showcase projects Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67 #MolecularDynamics #GROMACS #ComputationalBiology
3⃣ featuring the third of our showcase projects We are tackling the tough-to-predict H3 antibody/nanobody loop using AlphaFlow and hierarchical clustering to create more accurate models ➡️bioexcel.eu/56jw #Antibodies #AlphaFlow #DrugDiscovery
2⃣ Featuring the second of our showcase projects Through a combination of AlphaFold2 and other tools we are bypassing the limits of traditional MD simulations ➡️ bioexcel.eu/dvy3 #Proteins #MolecularDynamics #GROMACS #AlphaFold2
🔔 Don't forget to register for our special edition webinar on 23 September where we will have 3 interesting talks by our BioExcel Summer School 2025 poster prize winners: Find out more and register here ➡️ bioexcel.eu/ion8
1⃣ Featuring the first of our showcase projects We use an autoencoder to capture and quantify dynamic differences between protein conformational states ➡️ bioexcel.eu/wv4a #MolecularDynamics #MachineLearning
🤝Our collaboration with other leading EU #HPC Centres of Excellence has resulted a white paper providing guidance and best practices for CoEs aiming to build their #innovation and #commercialisation capabilities Read more: bioexcel.eu/k7b9 DOI: dx.doi.org/10.13140/RG.2.…
👏 Congratulations to the Summer School 2025 poster prize winners! 🏆 Zuzana Janáčková 🏆 Jan van Elteren 🏆 Gesa Laura Freimann Join us for a special edition webinar where they will present their work 🗓️ 23 September 2025, 15:00 CET
Today was the last day of our Summer School on Biomolecular Simulations 2025 ☀ 🏖 Finishing off with an introduction to QM/MM by Emiliano Ippoliti and a 'careers session' for all participants Thank you to everyone for a great event 👋
If you are interested in collaborating with industry and applying your molecular simulation and computational chemistry skills to drug discovery 💊 💉 check out these positions in the group of @zoecournia in Athens #jobs #compchem #drugdiscovery #pharma #molecularsimulation
If you are interested in collaborating with industry and applying your molecular simulation and computational chemistry skills to drug discovery 💊 💉 check out these positions in the group of @zoecournia in Athens #jobs #compchem #drugdiscovery #pharma #molecularsimulation
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