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Max Bonomi

@bonomimax.bsky.social

Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org

1,516 Followers  |  2,808 Following  |  39 Posts  |  Joined: 05.12.2024
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Posts by Max Bonomi (@bonomimax.bsky.social)

AI-driven approaches in structural biology Recent breakthroughs in artificial intelligence have transformed structural biology, enabling accurate protein structure prediction and de novo design at unprecedented scale. This EMBO Lecture Course…

πŸ“£ Excited to co-organize this @embo.org Lecture Course - #AI driven approaches in structural biology πŸ“… 26 April - 2 May 2026 in Bengalore (India). More info and registration below @pasteur.fr @cnrsbiologie.bsky.social meetings.embo.org/event/26-ai-...

25.02.2026 00:31 β€” πŸ‘ 15    πŸ” 6    πŸ’¬ 0    πŸ“Œ 0

and for refining AF2 models for small molecules virtual screenings www.biorxiv.org/content/10.1...

03.02.2026 07:28 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

This work follows our previous exploration of AF2 distograms for generating accurate, atomistic ensembles of Intrinsically Disordered Proteins www.biorxiv.org/content/10.1...

03.02.2026 07:28 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

✨ New preprint by Nicolas Portal in collaboration with @vincentmallet.bsky.social πŸš€ We incorporate AF2 distograms in #ML protein representations for prediction of ligand binding sites & affinity + protein stability + various RNA properties @pasteur.fr @erc.europa.eu www.biorxiv.org/content/10.6...

03.02.2026 07:28 β€” πŸ‘ 16    πŸ” 4    πŸ’¬ 1    πŸ“Œ 0

Amazing opportunity!

28.11.2025 13:39 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Don’t miss this opportunity to work with a fantastic mentor, a great team, in a beautiful city of France!

07.11.2025 12:47 β€” πŸ‘ 9    πŸ” 4    πŸ’¬ 0    πŸ“Œ 0
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Making PLUMED fly: a tutorial on optimizing performance PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. Whi...

A new tutorial manuscript is out! πŸš€ Making @plumed.org fly: a tutorial on optimizing performance, by Daniele Rapetti, @bonomimax.bsky.social @carlocamilloni.bsky.social @bussigio.bsky.social and Gareth Tribello. arxiv.org/abs/2511.02699

05.11.2025 08:16 β€” πŸ‘ 10    πŸ” 5    πŸ’¬ 1    πŸ“Œ 1

See you in Toulouse for this exciting @cecamevents.bsky.social workshop! #cryoEM #cryoET #AI #modeling

01.11.2025 14:40 β€” πŸ‘ 7    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Determining accurate conformational ensembles of intrinsically disordered proteins at atomic resolution Nature Communications - This study demonstrates how to combine molecular dynamics computer simulations with experimental biophysical data to determine accurate atomic-resolution ensembles of...

Our work developing a maximum entropy reweighting method to refine all-atom ensembles of IDPs with extensive NMR and SAXS datasets is now out in @natcomms.nature.com:

rdcu.be/eKlK7

Led by @dartmouthchem.bsky.social graduate student Kaushilk Borthakur in collaboration with @bonomimax.bsky.social

10.10.2025 15:34 β€” πŸ‘ 24    πŸ” 7    πŸ’¬ 2    πŸ“Œ 0

Yep I think this also is feasible!

07.07.2025 16:15 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Ahah I thought you were commenting on the other bioRxiv. My fault. In any case, the answer is yes!

07.07.2025 16:11 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

Yes, if some low res density is actually there. Same for semi-ordered waters, lipids or glycans πŸŽ‰

07.07.2025 16:05 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 3    πŸ“Œ 0
Product-stabilized filamentation by human glutamine synthetase allosterically tunes metabolic activity To maintain metabolic homeostasis, enzymes must adapt to fluctuating nutrient levels through mechanisms beyond gene expression. Here, we demonstrate that human glutamine synthetase (GS) can reversibly polymerize into filaments aided by a composite binding site formed at the filament interface by the product, glutamine. Time-resolved cryo-electron microscopy (cryo-EM) confirms that glutamine binding stabilizes these filaments, which in turn exhibit reduced catalytic specificity for ammonia at physiological concentrations. This inhibition appears induced by a conformational change that remodulates the active site loop ensemble gating substrate entry. Metadynamics ensemble refinement revealed >10 Γ… conformational range for the active site loop and that the loop is stabilized by transient contacts. This disorder is significant, as we show that the transient contacts which stabilize this loop in a closed conformation are essential for catalysis both in vitro and in cells. We propose that GS filament formation constitutes a negative-feedback mechanism, directly linking product concentration to the structural and functional remodeling of the enzyme. ### Competing Interest Statement HY is an employee of JSR. J.S.F. is a consultant to, a shareholder of, and receives sponsored research support from Relay Therapeutics. National Institutes of Health, https://ror.org/01cwqze88, F32GM144982, R35GM145238

❄️ Even high-resolution #cryoEM maps can still hide a few secrets πŸ” Discover how we uncover them in this exciting collaboration with @egreene.bsky.social @fraserlab.com @pasteur.fr @cnrsbiologie.bsky.social

πŸ“„ Preprint: www.biorxiv.org/content/10.1...

07.07.2025 15:20 β€” πŸ‘ 20    πŸ” 6    πŸ’¬ 0    πŸ“Œ 0

Any sticker left for a colleague? 😜

23.06.2025 05:23 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

πŸ”§ Try it now with the dev version of @plumed.org
πŸ“‚ Reproducibility: www.plumed-nest.org/eggs/25/014
πŸ“š Tutorial (coming soon): www.plumed-tutorials.org

21.06.2025 18:14 β€” πŸ‘ 4    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

πŸš€ Super excited to share our new work, led by @vschnapka.bsky.social bAIes, a Bayesian framework for generating accurate atomic-resolution ensembles of IDPs using #AlphaFold info! Now on @biorxivpreprint.bsky.social β†’ feedback welcome! @pasteur.fr @erc.europa.eu

www.biorxiv.org/content/10.1...

21.06.2025 18:14 β€” πŸ‘ 39    πŸ” 11    πŸ’¬ 3    πŸ“Œ 0

Exciting symposium coming soon in Grenoble!

27.05.2025 15:40 β€” πŸ‘ 8    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0

Our integrative approach using #MD and #cryoEM data to construct structural ensembles of #RNA just published on @natcomms.bsky.social doi.org/10.1038/s414... Lead by Elisa Posani, with @magistratolab.bsky.social @bonomimax.bsky.social @pjanos.bsky.social @navtejtoor.bsky.social and Daniel Haack πŸŽ‰

16.05.2025 09:16 β€” πŸ‘ 26    πŸ” 8    πŸ’¬ 0    πŸ“Œ 0
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🧬PSB Symposium on " #MachineLearning in Cellular #StructuralBiology ", EPN Campus Grenoble, France, 26-27 June 2025🧬

πŸ“’Reminder - Call for abstracts (posters & short talks)
Submission & registration deadline 25 May: www.psb-grenoble.eu/psbsymposium...

@esrf.fr @embl.org @illneutrons.bsky.social

09.05.2025 10:37 β€” πŸ‘ 7    πŸ” 4    πŸ’¬ 1    πŸ“Œ 3

AlphaFold’s success builds on decades of tech advances, massive efforts to collect, curate, and share structural data, and rigorous benchmarking. What will it take to see a similar leap in structural ensemble prediction? @stephanieaw.bsky.social and I share some thoughts here πŸ‘‡ Feedback is welcome!

07.05.2025 04:49 β€” πŸ‘ 22    πŸ” 5    πŸ’¬ 1    πŸ“Œ 0
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Last session is about "Ethics and AI", with a fantastic lecture from Julie Allouche @pasteur.fr and Pierre Noro @pierrenoro.bsky.social @sciencespo.bsky.social

19.03.2025 10:07 β€” πŸ‘ 5    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Next is technical challenges related to developing/using AI with Youssef Ghorbal and Thomas Menard

19.03.2025 09:21 β€” πŸ‘ 3    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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Last day of our "AI for Life Sciences" course @pasteuredu.bsky.social This morning we talk about Intellectual Property & AI with Nicolas Torno and Helene Chommy from DARRI @pasteur.fr

19.03.2025 08:31 β€” πŸ‘ 19    πŸ” 3    πŸ’¬ 1    πŸ“Œ 0
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Final thematic session of our "AI for Life Sciences" is "AI in Neuroscience" with Jean-Baptiste Masson @pasteur.fr
@pasteuredu.bsky.social

18.03.2025 14:23 β€” πŸ‘ 12    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0
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It is now time for "AI in Structural Biology" with Guillaume Bouvier: AlphaFold and beyond! Short talks by @bardiauxb.bsky.social Ludovic Sauguet Vincent Schnapka and @duyvd.bsky.social @pasteur.fr @pasteuredu.bsky.social

18.03.2025 12:28 β€” πŸ‘ 19    πŸ” 6    πŸ’¬ 0    πŸ“Œ 0
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AI for life sciences day 2 started!

@m-albert.bsky.social is now teaching AI for image analysis. Felipe Llinares from Bioptimus will then talk about LLMs, with short talks from @jkobject.com from my team and @emordret.bsky.social from @audeber.bsky.social team.

@pasteur.fr @pasteuredu.bsky.social

18.03.2025 08:50 β€” πŸ‘ 16    πŸ” 7    πŸ’¬ 0    πŸ“Œ 0
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We are back with our "AI for life sciences" course @pasteur.fr @pasteuredu.bsky.social with a deep dive into Neural Networks with @vincentmallet.bsky.social

17.03.2025 12:36 β€” πŸ‘ 19    πŸ” 3    πŸ’¬ 0    πŸ“Œ 0
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πŸ“’Here WE go!!! AI for life sciences course kicking off at @pasteur.fr with a lecture from @laineelodie.bsky.social.

Happy to see so many students on campus interested in AI!
@bonomimax.bsky.social @pasteuredu.bsky.social

17.03.2025 08:41 β€” πŸ‘ 19    πŸ” 5    πŸ’¬ 0    πŸ“Œ 0

If you are at @pasteur.fr today, come see @bussigio.bsky.social at 11AM in Salle Retrovirus. You won’t regret it #rna #cryoEM #coolscience @ipdbsc.bsky.social

05.03.2025 07:46 β€” πŸ‘ 12    πŸ” 3    πŸ’¬ 0    πŸ“Œ 0

Looking forward!!!

05.03.2025 07:41 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0