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/...

Registration now open for the '3rd Annual Danish Workshop on Advanced Molecular Simulation' Join us in beautiful Aarhus for a 2-day workshop on biomolecular simulations! 9-10 December 2025 Link for registration: aias.au.dk/events/show/...

Check out our latest, where we investigate the molecular origin of differences between Lys and Arg and their roles in biomolecular #condensates @dipcehu.bsky.social www.biorxiv.org/content/10.1...

Integrative modelling of biomolecular dynamics Time-dependent and -resolved experiments combined with computation provide a view on molecular dynamics beyond that available from static, ensemble-averaged experiments Review w @dariagusew.bsky.social & Carl G Henning Hansen doi.org/10.48550/arX...

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

Why are transcription factors disordered? Come join us in Oxford as a postdoc and we'll find out together! Help publish 3 mature projects, AND develop cool new single molecule fluorescence binding assays! biophysics transcription protein:DNA interactions my.corehr.com/pls/uoxrecru...

Excited to see our review now on arXiv, written together with @fpesce.bsky.social and @lindorfflarsen.bsky.social doi.org/10.48550/arX...

Our paper on: A coarse-grained model for simulations of phosphorylated disordered proteins (aka parameters for phospho-serine and -threonine for CALVADOS) is now published in Biophysical Journal authors.elsevier.com/a/1lTcE1SPTB... @asrauh.bsky.social @giuliotesei.bsky.social & Gustav Hedemark

Arriën & Giulio's paper on A coarse-grained model for disordered proteins under crowded conditions (that is the CALVADOS PEG model) is now published in final form: dx.doi.org/10.1002/pro.... @asrauh.bsky.social @giuliotesei.bsky.social

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...

Happy to share a walkthrough of the applications of our package for simulations using CALVADOS! Big thanks to @sobuelow.bsky.social, @lindorfflarsen.bsky.social, and the whole team for making this possible. Thrilled to mark this as my first last-author paper!

Do you like CALVADOS but are not quite sure how to make it? We’ve got your back! @sobuelow.bsky.social & @giuliotesei.bsky.social—together with the rest of the team—describe our software for simulations using the CALVADOS models incl. recipes for several applications. 1/5 doi.org/10.48550/arX...

Our paper on prediction of phase-separation propensities of disordered proteins from sequence is now published: www.pnas.org/doi/10.1073/... The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n

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...

Excited to share our PEG model for disordered proteins in CALVADOS! If you are interested in exploring the effects of a crowder on the global dimensions of an IDP or want to explore the phase separation behaviour of a more weakly PS-prone IDP, have a look at our preprint and give it a try.

Our review on machine learning methods to study sequence–ensemble–function relationships in disordered proteins is now out in COSB authors.elsevier.com/sd/article/S... Led by @sobuelow.bsky.social and Giulio Tesei