Milou - and it used to be the name of one of our server hosting the Haddock wel portal 😀
08.02.2026 08:06
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Milou - and it used to be the name of one of our server hosting the Haddock wel portal 😀
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
Course at EMBL-EBI. Data science for life scientists: hands-on machine learning for biological data. 15 – 19 June 2026. Hinxton, UK. EMBL's European Bioinformatics Institute logo.
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...
Great work from @xiaotong-xu.bsky.social who supervised and extended the work of Ilaria Coratella, a master student in our group.
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 ! 🍀🧿
Almost on my way - Needed first to finish the second batch of “vendanges” 😀 see you soon!
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