Now published in JACS🚨!! We introduce Martini3-NMR: a framework that can incorporate NMR observables directly into coarse-grained Martini models. This enables experimentally driven, high-efficiency & high-accuracy simulations in the wake of integrative biophysics! pubs.acs.org/doi/10.1021/...

HITS and the Max Planck Institute for Polymer Research’s #BBFlow predicts protein dynamics from backbone geometry alone, generating realistic ensembles up to 40× faster than previous models. Read more about it here: www.h-its.org/2026/01/15/p...

New preprint!🚨 We're finally able to sample secondary structure in coarse-grained simulations of IDPs! 🍝🍝🍝 With an AI-based prediction of NMR chemical shifts in CG simulations, we correct dynamics on the fly, making secondary structure emerge as dictated by expts😍! www.biorxiv.org/content/10.6... 🧵👇

Preprint alert 🚨: We introduce Martini3-NMR. 🧲 Through chemical shift predictions empowered by machine learning, we guide CG simulations toward realistic dynamics, avoiding altogether the use of elastic networks & providing CG models with real data. www.biorxiv.org/content/10.6... A thread below:🧵👇

Nuclear speckle associated RRM-containing proteins are block copolymers. They make size-limited, ordered microphases, tens of nm in size comprising tens of molecules. Speckles are likely clusters or emulsions of distinct microphases and not macrophases www.sciencedirect.com/science/arti...

We're back for our final seminar of 2025 with talks from @alexholehouse.bsky.social and Birthe Kragelund! 1 pm EST or 7 pm European time. If you're not already signed up, head on over to idpseminars.com to register!

New IDPSeminars season on deck 🤩 We hope you can join us to learn about some exciting science! More info in the post below👇

Now published!🚨 Well done @vanessaung.bsky.social 👏. We find that convergent evolution is behind the crosslinking ester bonds that protect bacterial adhesins from the hostility of their microenvironment! Fun collab. with Chris Squire🧪 @aucklanduni.bsky.social. onlinelibrary.wiley.com/doi/10.1002/...

In this evaluation of AlphaFold3 (and other methods), we show that (i) accurate predictions are limited to RNA structures/complexes with structural similarity to PDB and (ii) that current methods are bad at estimating the accuracy of the predictions. www.biorxiv.org/content/10.1...

A fun and rewarding collaboration integrating #structuralBiology & #computatationalBiophysics!💥🥳 We show how bacteria can use protease mimicry to make adhesins resist hostile environments..😯convergent evolution shapes cross-species ester cross-linking chemistries?!! www.biorxiv.org/content/10.1...

Happy for this being my first (re-)post on bsky 🙂!