⭐ #NARBreakthrough! ⭐ 🔬 New study by @magistratolab.bsky.social and @pokorna.bsky.social reveals how TAT-SF1 acts as a “molecular latch,” storing strain in #U2snRNP to drive branch-helix formation. A “loaded-spring” model for #splicingfidelity. 📖 Read the article: doi.org/10.1093/nar/...

Happy to share our new paper in the Journal of Physical Chemistry Letters! 🚨📢 We show how macromolecular crowding can enhance protein stability, combining experiments with MD simulations to understand the underlying mechanism. Many thanks to all authors! 🙏 👇👇👇 pubs.acs.org/doi/10.1021/...

Are you interested in phages, cryoEM, and looking for a PhD opportunity near the beach? www.exeter.ac.uk/research/ins...

It's been a long road, but thank you to everyone involved in getting this work published! @alexanderneuhaus.bsky.social and @mathewmclaren.bsky.social

Happy to share our recent work published in JPCL. We found more than 40% IDRs in human spliceosome crucial for various biological functions and are enriched in cancer-associated mutations. Thanks to all authors @BrunoPOS @LucaG @IsabellaFelli @magistratolab.bsky.social @rpierattelli.bsky.social

Please check our recent article’s blog published in Biophysical Society and the cover page! @aminagaffour.bsky.social @quantumchemical.bsky.social @idpnmrlab.bsky.social

Congratulations to @aminagaffour.bsky.social for getting our results into the Tau protein, and its subsequent binding to BIN1! It was a lot of work in the progress and I am very happy to get our research out. @idpnmrlab.bsky.social @krishnendubera.bsky.social www.sciencedirect.com/science/arti...

We (@sobuelow.bsky.social) developed AF-CALVADOS to integrate AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale See preprint for: — Ensembles of >12000 full-length human proteins — Analysis of IDRs in >1500 TFs 📜 doi.org/10.1101/2025... 💾 github.com/KULL-Centre/...

Our new work entitled 'Plasticity of the cytotoxic Nep1-like protein enables promiscuity in binding to its lipid receptor glycosylinositol phosphorylceramides' has been published on Science Advances! In collaboration with Gregor Anderlu, NIC, Slo read 👇 www.science.org/doi/10.1126/...

Our new review entitled 'Decoding Spliceosome Dynamics through Computation and Experiment' has been published on Chemical Reviews @pubs.acs.org Congrats to @pokorna.bsky.social, Sebastian Fica and Jana Aupic! pubs.acs.org/doi/10.1021/...

Snapped a selfie with Michele Parrinello at his 80th birthday 🎉🎂 a true icon in the world of science.

Almost at the end of the exciting @cecamevents.bsky.social conference 'RNA Modelling across scales' at SISSA, Trieste, Italy! 🎉 Fantastic speakers and great science. Organized with @bussigio.bsky.social @marcodevivo.bsky.social #RNA

Excited to share my recent corresponding author paper in ACS Agricultural Science & Technology Thanks all co-authors. Thanks #CzechELib for open access support! Link: shorturl.at/DhpAz #AgScience #InsecticideDesign #ACS #JAgFoodChem #CEITEC_Brno #muni_cz #CzechAcademy #MasarykUni

Just published our new paper on Identification of a new Small Rho GTPase Inhibitor Effective in Glioblastoma Human Cells. Check it out! www.sciencedirect.com/science/arti.... Excellent work done by @angelaparis3.bsky.social , in collaboration with University of Trieste, University of Udine, CNR-IC

AlphaFold is amazing but gives you static structures 🧊 In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃 Code: github.com/KULL-Centre/... Colab: github.com/matteo-cagia...

📢 Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social 📖 Read it here: rdcu.be/ef6YX 📝 Support the statement: bit.ly/3zVS3qm #MDDB #FAIRdata #collaboration

CALVADOS now has parameters for phosphorylated amino acids @asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...

Interested in understanding the molecular details of RNA–membrane association? Read our new paper just published in Nano Letters @acs.org. Excellent work done by sdimarco.bsky.social with Jana Aupic and @bussigio.bsky.social pubs.acs.org/doi/full/10.... #RNA #MembraneBiology #compchem #compbiol

New Preprint ‼️ Work led by the incredible @ananyac2000.bsky.social 💃🏽💃🏽 Mpipi-T is finally here!!! 🥳🥳 👇🏽👇🏽 www.biorxiv.org/content/10.1...

CALVADOS 🤝 PEG Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs

Proud to share: "Ensemble docking for intrinsically disordered proteins" from Dartmouth undergrad Anjali Dhar 24' and grad student Tommy Sisk. We present ensemble docking strategies for IDPs that, remarkably, seem to work! www.biorxiv.org/content/10.1... Code: github.com/paulrobustel...

Very proud to announce that a member of our group, Dr. Jana Aupič, has been awarded the prestigious "EuChemS ChemBioLife Young Investigator" prize! 🏅 This honors her hard work and exceptional contribution to chemical biology. Congratulations, Jana! 🌟✨ . www.euchems.eu/divisions/ch...

Just published in Journal of Chemical Information and Modeling our new study on the Mechanism of Rac1b: the Alternative Spliced Variant of Rac1 Small Rho GTPase. Great work by A. Parise and S. Cresca! pubs.acs.org/doi/10.1021/...

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

Publication Alert 🚨 We have studied Polyethylene Glycol‐Based Refolding Kinetic Modulation of CRABP I Protein in this article. Details 👇👇 analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

Meet the CALVADOS RNA model Ikki Yasuda, Sören von Bülow & Giulio Tesei have parameterized a simple model for disordered RNA. Despite it's simplicity (no sequence, no base pairing) we find that it captures several phenomena that depend on the charge, stickiness and polymer properties of RNA 🧬🧶🧪

I'm excited to share a new manuscript with Jiaqi Zhu characterizing the conformational ensembles of covalent adducts formed by a disordered protein and small molecule drugs: biorxiv.org/content/10.1... Code + Ensembles: github.com/paulrobustel...

RNA-CALVADOS!