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

We are very happy to host Max Bonomi (@bonomimax.bsky.social) from the Institute Pasteur (@pasteur.fr) for a Bijvoet Seminar about structural and dynamic biology with integrative approaches.

Deadline for EMBO post-doctoral fellowships is July 11th. This is an excellent opportunity for early-career researchers (finishing PhD or within 2 years of obtaining). Mobility required. www.embo.org/funding/fell...

🔜 Join us tomorrow at 15:00 CET (UTC+1) to hear about "Modelling antibodies in the post-Alphafold era: where are we now?" Registration is still open ➡️ bit.ly/4bYUozP #webinar #antibody #AlphaFold #proteindesign #compchem

Our webinar "Modelling antibodies in the post-Alphafold era: where are we now?" is next week on Tuesday 8 April at 15:00 CET Don't forget to register ➡️ bit.ly/4bYUozP #antibody #HADDOCK #AlphaFold #proteindesign #compchem @amjjbonvin.bsky.social

⏰ Two weeks left to register for our Benzon Symposium on Protein structure prediction and design 🧶🧬🖥️ Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and will feature an amazing list of speakers 👨‍🔬👩‍🔬👩‍💻👨‍💻 Submit your application via: benzon-foundation.dk/benzon-sympo...

Interested in #antibody modelling? Marco Giulini will discuss the current state of antibody modelling in the post-AlphaFold era in our next webinar: 🗓️ 8 April 2025 (15:00 CET) ✍️ bit.ly/4bYUozP #HADDOCK #AlphaFold #proteindesign #compchem

The ability to simulate whole cells will take biological research to a new level 🦠🔬📈 Join us on 18 March 2025, 15:00 CET to hear Siewert-Jan Marrink present progress on simulating whole cells with the Martini force field Registration ➡️bit.ly/3QxQWSC @cg-martini.bsky.social

Three PhD positions in Solid-state NMR and Drug Discovery (Antibiotics) the Weingarth group ‪@bijvoet-centre.bsky.social‬ Utrecht University, The Netherlands www.uu.nl/en/organisat... #NMRjobs #NMRchat #NMR 🧲

Still plenty of time to apply for the Computational Aspects of Biomolecular NMR Gordon Research Conference in Switzerland in June - a great meeting at the intersection of computations and experimental NMR - www.grc.org/computationa...

Our preprint on using Alfaflow to model antibody H3 loops and demonstrating improved modelling performance of their complexes with HADDDOCK3 is now in @biorxivpreprint.bsky.social - Work by Marco Giulini and Xiaoting Xu - supported by @bioexcelcoe.bsky.social - www.biorxiv.org/content/10.1...

PUBMED is down. This is disaster !! We do not have the system and organization to replace it. (EuroPMC is great but not a replacement) It is crystal clear that we cannot depend on critical systems provided by a single provider. European reaction has to include science and science infrastructures.

Reminder that Europepmc.org exists. In case anyone should need it for any reason.

Registration is now open for our Benzon Symposium on "Protein structure prediction and design" Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and will feature an amazing list of speakers Get your application in before March 31st via: benzon-foundation.dk/benzon-sympo...

Our webinar on Cryo-EM structure refinement with density guided simulations in GROMACS is less than a couple of weeks away Register here ➡️ bit.ly/41b6L7W

I have two open postdoctoral researcher positions in my group. I am looking for applicants with interest and expertise in computational structural biology and research software development. These positions are part of GANANA, a collaborative European/Indian project Check www.uu.nl/en/organisat...

@bioexcelcoe.bsky.social all hands meeting in Munich - nice to see the team f2f! And enjoy the snow 😃

Don't miss your chance to join this excellent @bioexcelcoe.bsky.social seminar series: Next option tomorrow! 🧐

Registration are now open for the 24th GGMM.

☝️Don't forget to register for our webinar by Attilio Vargiu from University of Cagliari on "Accounting for protein and ligand flexibility in #moleculardocking and #virtualscreening of challenging targets" 🗓️ 28 January 2025, 15:00 CET ➡️ bit.ly/40q3gKG #webinar #compchem

Still one month to register for the 2025 @bioexcelcoe.bsky.social summerschool in Sardinia! Check bioexcel.eu/events/summe...

Obituary for computational chemistry pioneer Martin Karplus in the New York Times (gift link). #CompChem #ChemSky 🧪 www.nytimes.com/2025/01/13/s...

Considering the large number of complexes we should have many more CAPRI targets! Please consider providing your complex as a a target for CAPRI - see capri-docking.org/contribute

📣📣 XIVth international conference on #NMR a tool for biology. May 26-28, 2025 at the Institut Pasteur in Paris, France, coorganized with Bruker. The registration is open 👇nmr2025.conferences-pasteur.org