All data are available on Zenodo and we'd love to see what you can do with it! Cydney also made a nice notebook to run the predictive model (including DMS scan) in Colab! Preprint: biorxiv.org/content/10.1... Colab: colab.research.google.com/drive/1KNWvG... Data: docs.google.com/forms/d/e/1F...

New preprint! We measured temperature- and pH-induced aggregation for over 18,000 natural and de novo designed protein domains!

I fully endorse this. Political leaders are falling prey to AI hype, and seem to lack any kind of help from reputable sources who could counter the false claims of tech CEOs. Where are their science advisers???

The idea is to decouple the journals from the review step. They’ll still exist, but they’ll need to add other value. They’ll highlight, curate, add new perspectives. If they do a good job they can still be prestigious (like Scientific American or Wired) (1.2) 👇

A new tutorial manuscript is out! 🚀 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

It’s official: ChatGPT can't draw a GPCR, but you’ll master them in the Filizola Lab 😜 Join Us! (send your CV and the names of at least two references to my institutional email) #Postdoc #scientist #research

I'm hiring for a PhD position at Malmö University, Sweden! The project will focus on molecular modelling of proteins, lipids, and biomolecular condensates at cell membranes. More details and application form: tinyurl.com/4zm92365 Please feel free to share! @vetenskapsradet.bsky.social | @mau.se

We asked what a strong static EF may do to AB42 fibril, we saw a marked perturbation of the fuzzy coat and increase fluctuations of the fibril core

Apple is entering the protein folding arena. SimpleFold: Folding Proteins is Simpler than You Think arxiv.org/abs/2509.18480 🧬🖥️🧪 github.com/apple/ml-sim...

RFdiffusion3 is here! We train a general network that explicitly models every atom and use it to design active enzymes and DNA binders. Tremendous team effort with Jasper, Rohith, Raktim, Rafi, Yanjing, Paul, Jonathan, and many others! Check it out: lnkd.in/eiUFfJaM.

AtomWorks is out! Building upon @biotite_python, we built a toolkit for all things biomolecules and trained RF3 with it. All open-source, test it via `pip install atomworks`! AtomWorks: github.com/RosettaCommo... RF3: github.com/RosettaCommo... Paper: tinyurl.com/y2w4z65b 1/6

RosettaFold 3 is here! 🧬🚀 AtomWorks (the foundational data pipeline powering it) is perhaps the really most exciting part of this release! Congratulations @simonmathis.bsky.social and team!!! ❤️ bioRxiv preprint: www.biorxiv.org/content/10.1...

🚀 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 → feedback welcome! @pasteur.fr @erc.europa.eu www.biorxiv.org/content/10.1...

the JIF 👇 is a very (!) narrow definition of "impact" = cites in first 2y after publication... 👉 What about "constant" or "late" impact? 👉 Why do we accept that a private company defines our impact? 👉 Why do we allow to be judged on this basis? #researchintegrity #chemsky, #compchemsky

Rapid, nanoscale dynamics of individual IDPs determine bulk properties of the entire condensate, such as viscosity. Amazing work by Nicola Galvanetto & the Schuler lab! www.pnas.org/doi/10.1073/...

Congratulations to Michele Parrinello for receiving the ESI Medal 2025! @esivienna.bsky.social @univie.ac.at

Choose Science. Choose Europe. A new Marie Skłodowska-Curie Actions Postdoctoral Fellowships 2025 call is now open. With a budget of €404.3 million, it will support around 1,650 researchers from Europe and beyond. Apply by 10 September → europa.eu/!fBTMgF

What an incredibly cool paper! While knot theory strictly applies to closed curves, Tommy, @smnlssn.bsky.social , and @paulrobustelli.bsky.social show that writhe, a knot "non-invariant" that changes with smooth deformations, provides a meaningful descriptor for flexible conformations.

onlinelibrary.wiley.com/doi/10.1002/... Federico did some modeling to make some hypothesis on the interaction of anthocyanin with glucose transporter

Protein folding, binding and redox conditions by Stefano Gianni team in Rome the super productive Valeria Pennacchietti, doi.org/10.1016/j.ij...

Very proud of Amit Kumawat, Elisa Tavazzani and all coworkers for this work on hERG K+ channel rescue mechanism by ICA. Now published here: jbiomedsci.biomedcentral.com/articles/10....

A single python package for calculation of quality metrics like DockQ, LDDT, RMSD, & others peppr.vant.ai

Very true!

Run BioEmu in Colab - just click "Runtime → Run all"! Our notebook uses ColabFold to generate MSAs, BioEmu to predict trajectories, and Foldseek to cluster conformations. Thanks @jjimenezluna.bsky.social for the help! 🌐 colab.research.google.com/github/sokry... 📄 www.biorxiv.org/content/10.1...

We’re looking for fellow nerds to help us make disordered proteins druggable. Love #IDPs, #MD, #NMR, #AI, #DrugDiscovery, or #MassSpec? Let’s talk. @bindresearch.org is hiring across the board: bindresearch.org/careers/ #compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social

Structural bases for Nuclear Factor 1-X activation and DNA recognition. Prototypic insight into the NFI transcription factor family https://www.biorxiv.org/content/10.1101/2025.03.21.644642v1

Structural bases for Nuclear Factor 1-X activation and DNA recognition. Prototypic insight into the NFI transcription factor family https://www.biorxiv.org/content/10.1101/2025.03.21.644642v1

I missed this when it came out. (Or I’ve forgotten it. Hard to know which… 😄) Either way, perhaps the future is more research alliances with Europe? (And away from the US.) NZ is associated to pillar 2 of the Horizon programme: research-and-innovation.ec.europa.eu/strategy/str...

ChimeraX can run Foldseek to find similar structures, such as distantly related homologs, and analyze the results, for example, mapping all ligands onto your query structure. Here are ligands mapped onto Nipah virus G protein. www.rbvi.ucsf.edu/chimerax/dat...

The paper describing our community effort to collect and organize #plumed tutorials has been published in the Journal of Chemical Physics, as part of the Michele Parrinello Festschrift! doi.org/10.1063/5.02...

In this world of shrinking research budgets, academic layoffs and failing universities, Elsevier is still making an obscene profit. If anything has radicalised me to green it's these numbers. www.researchprofessionalnews.com/rr-news-worl...

It is with sadness I share that my long-term collaborator and friend prof. Per Jemth passed away last week after a short time of illness. He is greatly missed.

We are building high-throughput tools and public datasets to make disordered proteins druggable for everyone. Want to drug the undruggable with us? We’d love to hear from you! Reach out at bindresearch.org.

We’re thrilled to announce the launch of Bind Research, the UK’s first not-for-profit Focused Research Organisation, with long-term support from the Department for Science, Innovation and Technology’s Research Ventures Catalyst Programme, industry, and charities.

Published in JCIM, #compchem pubs.acs.org/doi/full/10....

Continuing the peer review discussion: @katherine-brown.bsky.social on principles for effective peer review: 1) Be respectful to authors 2) Request reasonable revisions 3) Focus on whether data support the conclusions 4) Be transparent about expertise limits thenode.biologists.com/peer-review-...

📢 New #preprint describing our community effort to share #plumed tutorials arxiv.org/abs/2412.03595 ! Explore the tutorials at www.plumed-tutorials.org

Stefano Gianni in Rome has led this cool protein folding work that shows a complex relationship between folding of multiple domains and binding of an autoinhibitor element doi.org/10.1002/pro....

We strongly suggest that academic publishers and other platforms that host research rapidly implement a Share to Bluesky button for their articles. Here's how: docs.bsky.app/docs/advance... #AcademicSky #HigherEd #Altmetrics

An AF3-like model available with an MIT license “Our model and code are released under MIT License, and can be freely used for both academic and commercial purposes.”

I found this starter pack for #compchem useful: go.bsky.app/Qc4frbt Thanks @marwinsegler.bsky.social !

AlphaFold 3 model code and weights are now available from DeepMind github.com/google-deepm...

This is, unfortunately, real — Danielle Allen of Harvard, who has thought a lot about ethics and democracy

Bluesky now has over 10 million users, and I was #2.246.645!

Pathological PNPase variants with altered RNA binding and degradation activity affect the phenotype of bacterial and human cell models https://www.biorxiv.org/content/10.1101/2024.10.03.616462v1

British Journal of Haematology | Wiley Online Library onlinelibrary.wiley.com/doi/10.1111/... we contributed to this work with some molecular insight

Estimation of ligand binding free energy using multi-eGO. | ChemRxiv - go.shr.lc/46lUbUl atomistic, accurate, and fast, what else? Super work from Bruno Stegani, Emanuele Scalone, Fran Bacic Toplek, Thomas Löhr, Stefano Gianni, Michele Vendruscolo and Riccardo Capelli

Light chain dimers in native conditions are not all the same, check what we found! #alAmyloidosis