This week, we hosted the Austrian Computational Bioscience Days @bokuvienna.bsky.social, with hands-on tutorials on the Haddock software by @amjjbonvin.bsky.social himself! A great joint event by EGI, BOKU University and WeNMR! indico.egi.eu/event/6940/ #compchem 🧪
🎗️ Final reminder! This Sunday 31st May is the deadline: 💰 Early-bird registration 🗣️ Oral presentation abstract submission ➡️ bioexcel.eu/hzr0 #ComputerSimulation #conference #community
Excited to announce the Austrian Computational Bioscience Days @bokuvienna.bsky.social, with the always great @amjjbonvin.bsky.social ! Join us June 30 and July 1 at BOKU University in Vienna indico.egi.eu/event/6940/ #compchem 🧪
Still possible to register for the 14th Young Scientists' Symposium! 📅 4-5 June 2026 @iecb.bsky.social @univbordeaux.bsky.social Fantastic lineup of keynote speakers. @marionjasnin.bsky.social @amjjbonvin.bsky.social @olallalab.bsky.social
When to submit targets: NOW - July 10, 2026. How to submit targets: predictioncenter.org/casp17/callF...
Call for Targets - CASP17
predictioncenter.org
Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.
It's hard to describe how valuable CASP is to the structural biology & structure prediction field. The ever increasing number of prediction algorithms means independent assessment of their accuracy is vital. Please contribute interesting/tricky structural data if you can!
Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.
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
BioExcel CoE
BioExcel (www.bioexcel.eu) is the leading European Centre of Excellence for Computational Biomolecular Research. We are core developers of major software applications and focus on application Exascale...
youtube.com
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 for the 2026 Computational Chemistry Spring School is open! Theory, hands-on exercises on supercomputer GPUs, poster session and networking 🗓️ 8-10 April 2026 🌍 Espoo, Finland ℹ️ bioexcel.eu/qrhx #compchem #moleculardynamics #quantumchemistry
⭐️ 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...
In remembrance of Peer Bork | EMBL
EMBL and its community are deeply saddened by the death of Peer Bork, the organisation’s Interim Director General.
embl.org
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...
I attended a summer school on Spetses 🇬🇷 just as I was beginning my PhD. Looks like I will be going again in 2026 with "Lost in Integration vol. 2". Details to follow.
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...
33 million euro investment for national electron microscope facility EMPower
A major new national facility for electron microscopy, called EMPower, has been awarded to a consortium of Dutch universities and medical centers. EMPower aims to pave the way for major discoveries im...
uu.nl
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...
GitHub - aqlaboratory/openfold-3: OpenFold3: A fully open source biomolecular structure prediction model based on AlphaFold3
OpenFold3: A fully open source biomolecular structure prediction model based on AlphaFold3 - aqlaboratory/openfold-3
github.com
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
A brief introduction to HADDOCK3 — haddock3 3.0.0 documentation
HADDOCK3 is the next generation integrative modelling software in the long-lasting HADDOCK project. It represents a complete rethinking and rewriting of the HADDOCK2.X series, implementing a new way…
buff.ly
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
Biomolecular Interaction Prediction in the Pre‐ and Post‐AlphaFold Era: The 8th CAPRI Evaluation
We report on the 8th CAPRI Evaluation period, capturing the assessment of CAPRI Rounds 47 to 55 (excluding the CASP and COVID-related Rounds), which have witnessed the transition to AI-driven predict...
onlinelibrary.wiley.com
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.