While in Taipei at Academia Sinica for the #ISGC2026 symposium on grid and cloud computing, and giving a @bioexcelcoe.bsky.social #GANANA #HADDOCK workshop our HADDOCK portal passed the cap of 80000 registered users! Live stats at wenmr.science.uu.nl

You asked, we listened. Millions of AI-predicted protein complex structures are now available in the #AlphaFold Database. This spans homodimers from 20 of the most studied species, including humans, as well as the World Health Organization’s priority pathogens list. www.ebi.ac.uk/about/news/t...

Got to visit Fugaku at Rikken today for the #acmasianschool2026_Japan - this how 7.6 million CPU cores look like 😀 and much quieter than our small cluster room!

In memory of Prof. Vladimír Sklenář, CEITEC MU awards the Vladimír Sklenář Scholarship. 🎓 CZK 100,000 for PhD students in the Czech & Slovak Republics working with NMR spectroscopy, supporting academic and career development. 📅 Deadline: Feb 28, 2026 Sponsored by Měřicí technika Morava.

Interested in best practices for creating and maintaining reproducible workflows for biomolecular simulations? Join us for our #webinar 🗓️ 17 February 2026, 15:00 CET ✍️ bioexcel.eu/7c2s #molecularsimulations #workflows #FAIR #SoftwareEngineering @coderefinery.org

During 'Data science for life scientists' you will get hands-on training on: – APIs and Python – Data preprocessing and visualisation – Core machine learning methods – Deep learning approaches – Large language models Applications are open until 1 March 2026: www.ebi.ac.uk/training/eve... 🧬🖥️📊

The deadline for applications to our Summer School on Biomolecular Simulations 2026 is fast approaching ❗️ 🧑‍🎓Learn from the code developers, build your network and present your work Submit your application by this Sunday 1st February ➡️ bioexcel.eu/4ooy #training

It was a pleasure to host you @matthieumontes.bsky.social A recording of the webinar will shortly be available on our YouTube channel: www.youtube.com/c/bioexcelcoe

We are happy to announce CAPRI Round 62, featuring a total of nine antigen/antibody targets. Registration opens tomorrow, Jan 23rd. The targets will be offered in two prediction periods, with prediction of the first five targets starting Feb 16th, and of the last four targets starting Mar 16th.

Do you know how to use computational chemistry tools to solve scientific problems? Consider this School to get an intensive crash course on MD, QC and automation on @csc.fi supercomputers topped with lot of interaction with lecturers and participants!

⭐️ Registration and Abstract submission is open for the "3rd BioExcel Conference on Advances in Biomolecular Simulations" 🗓️ 27 - 30 September 2026 📍 Brno, Czechia ℹ️ More info: bioexcel.eu/hzr0 #molecularsimulation #moleculardynamics #AI #compchem #drugdesign #molecule #computing #conference

Very sad to hear about the passing of Peer Bork, one of true giants of computational biology www.embl.org/news/embl-an...

If you are an early-stage career scientist 🧑‍🔬 using biomolecular simulations the BioExcel Summer School is for you! Running since 2018 it always receives outstanding reviews Apply here ➡️ bioexcel.eu/4ooy Deadline for applications: 1st February! #training #molecularsimulations #community

Are you interested in integrative structural biology, but feel a bit lost? Don't worry, we have you covered with our FEBS Advanced Course, Lost in Integration Vol. 2 — probing biomolecules with AI and experiments probingbiomolecules2026.febsevents.org network.febs.org/posts/integr...

DeepRank-Ab: a dedicated scoring function for antibody-antigen complexes based on geometric deep learning https://www.biorxiv.org/content/10.64898/2025.12.03.691974v1

Join us for our next #webinar where we will provide an overview of the #GROMACS Tutorials Suite We will cover different methods and installation of all the necessary software requirements 🗓️ 2 December 2025, 15:00 CET ✍️ bioexcel.eu/4m5m #moleculardynamics #freeenergy #enhancedsampling

Very happy that NWO supports this major upgrade of our national EM infrastructure. It is great that this initiative got broad support all over NL, and it will EMPower fantastic science - looking forward to that! www.uu.nl/en/news/33-m...

Looking forward to contribute!

Looks like OpenFold3 has been formally released in a public "preview". Not quite on parity with AlphaFold3 on a few benchmarks shown, in particular for antibody interactions. All info on the github link. I am sure we will hear more about this from the developers github.com/aqlaboratory...

New Title Alert: HADDOCK3- is the next generation integrative modeling software in the long-lasting HADDOCK project. Learn more here: buff.ly/gInH6VV #SBGrid #SBGridSoftware #StructuralBiology

AbTune: Layer-wise selective fine-tuning of protein language models for antibodies https://www.biorxiv.org/content/10.1101/2025.10.17.682998v1

🧬 New paper out from our Computational Molecular Systems Biology team at @UGSF-lille ! Proud to have contributed to the CAPRI 8 challenge 🔗 Read it here: onlinelibrary.wiley.com/doi/10.1002/... #CAPRI8 #AlphaFold #ProteinStructure #StructuralBiology #AIinBiology #Bioinformatics #UGSF

INTERNATIONAL SYMPOSIUM ON GRIDS & CLOUDS (ISG) 2026 15-20 March 2026, Academia Sinica, Taipei, Taiwan CALL FOR ABSTRACT There will also be a #HADDOCK @bioexcelcoe.bsky.social workshop in the context of the EU-INDIA GANANA project.

And the legacy continues! 😊 @amjjbonvin.bsky.social @bioinfo.se @lindorfflarsen.bsky.social #EMBOIntegMod25 ! 🍀🧿

Still time to register for the next CAPRI round and put your methods to the test for predicting the structure of four antibody-antigen complexes - prediction period opening on Sept. 29th.

A new CAPRI round is coming up with 4 antibody-antigen targets! The registration opens next Monday (Sept. 22nd). Check it out at www.ebi.ac.uk/pdbe/complex...

Navigating the pre- and post-AlphaFold divide: CAPRI 8th evaluation meeting www.authorea.com/users/348903...

5️⃣ 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

4️⃣ 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

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

Critical benchmarking of structure prediction methods has been crucial for measuring progress and detecting breakthroughs. But how will the future look like? Join the discussion at our workshop in Basel on September 8 - just before the [BC]2 conference. @sib.swiss @biozentrum.unibas.ch ⬇️⬇️⬇️

this seems like a very good idea actually

Alexandre Bonvin @amjjbonvin.bsky.social Empowering Structural Biology: Inside WeNMR’s Journey with EGI (European Grid Infrastructure) EGI Magazine - Issue 03 @egieinfra.bsky.social www.egi.eu/magazine/iss... #NMRchat #NMR 🧲

A small reminder to all structural biologists around working on biomolecular complexes: please consider sharing your complexes as targets for CAPRI - AI has not solved all structure prediction problems and there are still challenges! See www.capri-docking.org/contribute/

💻 Code and input data are openly available with documentation and examples to support reproducible antibody modelling and docking workflows:

🧬 Now published in Bioinformatics Advances: "Improved prediction of antibody and their complexes with clustered generative modelling ensembles"   Full article available: https://doi.org/10.1093/bioadv/vbaf161 Authors include: @xiaotong-xu.bsky.social, @amjjbonvin.bsky.social

The result of a master student project by Miguel Sanchez-Marin supervised by Marco Giulini - well done both!

Biomolecular interaction prediction in the pre and post alphafold era onlinelibrary.wiley.com/doi/10.1002/...

Very honored to feature on the @bioexcelcoe.bsky.social Newsletter as one of the ambassadors of the month together with Anela Ivanova for co-organizing the Bioexcel Balkan Workshop in May in Sofia. BioExcel links a very friendly and impactful community. bioexcel.eu/about/govern...

🎶 Science meets creativity with TuberKiller! Yaëlle Wormser, PhD student featured in the My PhD at the Institut Pasteur series, raps her tuberculosis research. Discover how music and science collide to make research unforgettable! 👏 🎧 TuberKiller is also available on Spotify! @pasteur.fr

TuberKiller 🤩 🧫🦠❄️🔬 #scicomm

👏 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 👋

Only a few days left to apply for our EMBO course with a great lineup of speakers and tutors! Please feel free to RT! Course website: meetings.embo.org/event/25-bio... Organizers: myself, @amjjbonvin.bsky.social @bioinfo.se @lindorfflarsen.bsky.social Location: www.ibg.edu.tr

We are happy to announce CAPRI Round 60, with one target: an antibody-peptide complex. Registration is open. Prediction starts June 9th. www.ebi.ac.uk/pdbe/complex...

A highlight of the Instruct-NL Minisymposium this week as part of the Bijvoet Annual Meeting! Hugo van Ingen of @utrechtuniversity.bsky.social demonstrating the musical power of NMR!

Beautiful and inspiring talk by Sheena Radford of the @radford-lab.bsky.social at the Astbury Centre for Structural Molecular Biology (@astbury-bsl.bsky.social) from the University of Leeds (@universityofleeds.bsky.social) at our annual Bijvoet Symposium!

The manuscript describing the new modular version of HADDOCK is finally available as a preprint! The result of a team work over several years, supported by @bioexcelcoe.bsky.social @bijvoet-centre.bsky.social @esciencecenter.bsky.social - www.biorxiv.org/content/10.1...

Would you like to know more about the commonly used methods and tools in structural bioinformatics? Then this course is for you! www.ebi.ac.uk/training/eve... Some financial assistance is available. See course page for more info. 🧪🧬🖥️

Join us for our next webinar where Andrej Antalík will introduce the MiMiC framework for multiscale modeling in computational chemistry 🗓️ 13 May 2025, 15:00 CET ✍️ Sign up: bioexcel.eu/l4rd #moleculardynamics #qmmm #compchem