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Posts by Max Bonomi

RNAScale Exploring RNA Dynamics across Scales

Want to contribute to a major #opensource project for molecular simulations? Weโ€™re opening a research technologist position at SISSA (Trieste) to work on @plumed.org (scientific coding / #HPC) within the #RNAScale project. Fill the expression of interest form: www.bussilab.org/rnascale

#joinus

1 week ago 6 2 0 0
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Looking forward welcoming next week all the participants of the CECAM workshop organized with @sonyahanson.bsky.social , Celia Plisson-Chastang, and @bonomimax.bsky.social at the Museum of Toulouse

Full program: www.cecam.org/workshop-det...

1 month ago 9 3 0 1
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 Courseโ€ฆ

๐Ÿ“ฃ Excited to co-organize this @embo.org Lecture Course - #AI driven approaches in structural biology ๐Ÿ“… 26 April - 2 May 2026 in Bengalore (India). More info and registration below @pasteur.fr @cnrsbiologie.bsky.social meetings.embo.org/event/26-ai-...

1 month ago 15 6 0 0

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

2 months ago 2 0 0 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...

2 months ago 1 0 1 0

โœจ New preprint by Nicolas Portal in collaboration with @vincentmallet.bsky.social ๐Ÿš€ 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...

2 months ago 16 4 1 0

Amazing opportunity!

4 months ago 6 0 0 0
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Donโ€™t miss this opportunity to work with a fantastic mentor, a great team, in a beautiful city of France!

5 months ago 9 4 0 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! ๐Ÿš€ 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

5 months ago 10 5 1 1

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

5 months ago 7 0 0 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

6 months ago 24 7 2 0

Yep I think this also is feasible!

9 months ago 2 0 0 0

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

9 months ago 1 0 1 0

Yes, if some low res density is actually there. Same for semi-ordered waters, lipids or glycans ๐ŸŽ‰

9 months ago 1 0 3 0
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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 ร… 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

โ„๏ธ Even high-resolution #cryoEM maps can still hide a few secrets ๐Ÿ” Discover how we uncover them in this exciting collaboration with @egreene.bsky.social @fraserlab.com @pasteur.fr @cnrsbiologie.bsky.social

๐Ÿ“„ Preprint: www.biorxiv.org/content/10.1...

9 months ago 20 6 0 0

Any sticker left for a colleague? ๐Ÿ˜œ

9 months ago 1 0 1 0

๐Ÿ”ง Try it now with the dev version of @plumed.org
๐Ÿ“‚ Reproducibility: www.plumed-nest.org/eggs/25/014
๐Ÿ“š Tutorial (coming soon): www.plumed-tutorials.org

10 months ago 4 0 0 0

๐Ÿš€ 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 โ†’ feedback welcome! @pasteur.fr @erc.europa.eu

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

10 months ago 39 11 3 0

Exciting symposium coming soon in Grenoble!

10 months ago 8 1 0 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 ๐ŸŽ‰

11 months ago 26 8 0 0
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๐ŸงฌPSB Symposium on " #MachineLearning in Cellular #StructuralBiology ", EPN Campus Grenoble, France, 26-27 June 2025๐Ÿงฌ

๐Ÿ“ขReminder - Call for abstracts (posters & short talks)
Submission & registration deadline 25 May: www.psb-grenoble.eu/psbsymposium...

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

11 months ago 7 4 1 3

AlphaFoldโ€™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 ๐Ÿ‘‡ Feedback is welcome!

11 months ago 22 5 1 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

1 year ago 5 0 0 0
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Next is technical challenges related to developing/using AI with Youssef Ghorbal and Thomas Menard

1 year ago 3 0 1 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

1 year ago 19 3 1 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

1 year ago 12 1 0 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

1 year ago 19 6 0 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

1 year ago 16 7 0 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

1 year ago 19 3 0 0
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๐Ÿ“ขHere 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

1 year ago 19 5 0 0