Eye of the mantis shrimp. Bali/Amed with @cecclementi.bsky.social

📢 We are hiring #PhD students and #Postdocs at the @mpi-nat.bsky.social in in the Department of Theoretical and Computational #Biophysics in Göttingen 🇩🇪! 🔗 check our current job adverts at www.mpinat.mpg.de/grubmueller and find your project. Submit your #application today! #job

👉 Open #PhD and #Postdoc positions in #computational #biophysics @mpi-nat.bsky.social in Göttingen 🇩🇪 in the Computational Biomolecular Dynamics group of Bert deGroot for several projects! Applications welcome! 🔗https://www.mpinat.mpg.de/5088717/24-25?c=645962 📝[email protected]

A laser flash melting procedure, followed by rapid revitrification, provides a simple approach to help mitigate the preferred orientation problem that plagues cryo-EM analysis. www.nature.com/articles/s41...

We are recruiting 2 postdocs to work on bacterial motility using a combination of cryoEM, FLM and MD. An exciting collaboration with Kirsty Wan @micromotility.bsky.social Wolfram Moebius @wolframmoebius.bsky.social and Daniel Kattnig. Please see links in the thread below!

#PostDoc opportunity in data-driven #SynChem planning at MIT (Cambridge MA USA) duration: 2 years #cheminformatics #DataScience #CompChem #ChemPostDoc #PostDocJobs #chemsky 🧪 coley.mit.edu/positions

A few highlights from our new preprint: On taxol-stabilized microtubules In vitro, wild-type (WT) and phosphor-resistive (AP) tau form well-defined envelopes, while phosphomimetic (E14) tau does not bind cooperatively.

Nature research paper: Diffusing protein binders to intrinsically disordered proteins go.nature.com/4lSCdzE

Intrinsic disorder comes in various flavors ! Using CALVADOS simulations of the Tau protein, we reveal that its disordered dynamics can be interpreted at both residue and domain scales, and that addition of phosphorylations impact both By @sacquin-mo.bsky.social , Chantal Prévost and I

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

Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s415... I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.

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

Ever wondered how one can design dynamics into proteins? Check out our work on flexibility conditioned protein structure design at ICML (Poster W-109, Thu. 11am)! We introduce a flow matching framework for generating protein backbones with custom per-residue flexibility, validated by 300ns of MD.

Great work!

A Minimal Chemo-mechanical Markov Model for Rotary Catalysis of F1-ATPase https://www.biorxiv.org/content/10.1101/2025.06.26.661389v1

You want to make your simulations reactive, at little cost? Try KIMMDY. Don't hesitate to reach out if you want to include your favorite chemistry. Super happy to see this online, kudos to the team! www.biorxiv.org/content/10.1...

Time’s running out! Lead generative AI research for molecular dynamics in our lab AIMLeNS. - Scale our NeurIPS/ICLR-published implicit transfer operators to revolutionize simulations. Postdoc position closes 10. July. Apply now: www.chalmers.se/en/about-cha...

Have a great D2@ #EBSA2025 in Rome🫠! Here are the posters of today's session: 📌Maksim @maksimkalutskii.bsky.social is presenting (P-2.195) his project addressing #Microtubule Dynamics Are Defined by Conformations and Stability of Clustered #Protofilaments 📜🔗 www.pnas.org/doi/10.1073/...

Our latest work is a collaboration led by Sarel Fleishman and Dina Listov, with Eva Vos, Andrej Berg, Gyula Hoffka and others. We present a fully computational workflow for designing highly proficient enzymes in TIM barrel folds. Read more here: www.nature.com/articles/s41...

🌟 We are hiring! Seeking a postdoc to use molecular dynamics and AI to understand how ion channels are regulated by membrane lipids 🌟 Join us at #scienceanu with amazing collaborators and great working conditions! Email me (karri.anu.edu.au) or apply here (tiny.cc/corry). Please share & repost!

This paper combines two sort-of-crazy (in the best sense) approaches in cryoEM sample preparation: (1) Native, soft-landing electrospray ion beam deposition, followed by (2) deposition of amorphous ice, and reheating and freezing by laser flash melting. Has potential for time-resolved studies.

Breakthrough in HIV latency reversal. A lipid nanoparticle co-formulated with an ionizable lipid and β-sitosterol delivers mRNA encoding HIV Tat or CRISPRa machinery directly into resting T cells. The approach reactivates latent HIV ex vivo without toxic effects or T cell activation.

the magic growing/shrinking GTP/GDP switch lies in the differential ability to bend out of plane and hold on neighbours. Alone you go faster, together we go further.

@turnerb-123.bsky.social , first author of this manuscript, is now on bluesky, please follow him to learn about the latest developments in modelling Mtb cell wall. I would like to mention here all the hard work done by Turner to model these very complex and novel systems. Congrats Turner!

Happy to contribute to this fantastic work by @maksimkalutskii.bsky.social and @maxotubule.bsky.social! www.pnas.org/doi/abs/10.1...

Excited to share our latest work in @pnas.org! Combining simulations and cryo-ET, we reveal how microtubules decide between growth and shortening. doi.org/10.1073/pnas... @maksimkalutskii.bsky.social @vladimirvolkov.bsky.social @compbiophys.bsky.social @mpi-nat.bsky.social @qmul.ac.uk @dundee.ac.uk.

The ability to model both folded domains and disordered regions in condensates means that we can now begin to use CALVADOS simulations to ask how and why the condensate environment changes protein folding stability 🧪 doi.org/10.1002/pro....

Severance is a documentary about working at Altmetric

Our newest paper is out!

BioEmu is now easily accessible on Colab. Thank you @martinsteinegger.bsky.social and @jjimenezluna.bsky.social !! @msftresearch.bsky.social

Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: www.nature.com/articles/s41...

Gemma Solomon and I are looking for a postdoc to work across the two groups on modelling biological systems with a view to applications for quantum computing More details about the project including how to apply in the link below. Deadline April 9 2025 candidate.hr-manager.net/ApplicationI...

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...

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

An open #PhD position is available in my lab in Munich 🇩🇪 If you are interested in structural biology, #AlphaFold, or disordered proteins, see below for more details. jobs.helmholtz-muenchen.de/jobposting/b... #science #PhD #research

Was a big pleasure to attend the “Computer simulations and theory of macromolecules” meeting in Hünfeld. Great to hear about excellent science from MSc & PhD students and postdocs in a friendly and relaxed atmosphere. Everything from pH dependent polymers to K channels and membranes.

You're behind the camera, I'm behind a poster—sounds like we're both committed at #Huenfeld2025! Come and talk to me if you want to learn more about optimization of essential dynamics in #GōMartini. Poster 374.

In our new preprint: biorxiv.org/content/10.1... we find that the tilted stalk of the NDC80 complex—a crucial component of the kinetochore—may be responsible for its asymmetric grip on microtubules. This conclusion may also extend to other MAPs. #Microtubule #Biophysics #Kinetochore

The BioEmu-1 model and inference code are now public under MIT license!!! Please go ahead, play with it and let us know if there are issues. github.com/microsoft/bi...

🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization www.ks.uiuc.edu/Research/vmd...

If you are interested in postdoctoral research on ligand-gated ion channels and the synapse, or simulation/AI methods for structural biology - drop me a line if you'll be around at Biophysical Society in LA! #bps2025 #bps #biophysics

#Postdoc #funding Are you a motivated early-career (<7 years post-PhD) non-UK scientist interested in #organic_materials #compchem #ML? Consider applying for the Newton International Fellowship to join our group @uobchemistry.bsky.social! Deadline 18.03. royalsociety.org/grants/newto...

Looking for a #LifeSciences #postdoc opportunity? Check out EMBO Postdoctoral Fellowships for internationally mobile scientists in Europe and around the world. Apply before 14 February (next cut-off date): embo.org/funding/fell... #ResearchFunding 🧪

WOW, thanks for the crazy shout-out, Nature dot com 🤜🤛

Grappa is out: pubs.rsc.org/en/content/a... We are looking forward to feedback from and extensions by the community! Try it out for your favorite (bio)molecules - ligands, post-translational modifications, metal-enzymes, DNA, ...

Check out our new paper! Protein assembly in membranes is crucial yet elusive. Why steer when you can just observe? We introduce a bias-free simulation method that captures the full picture of transmembrane dimerization—free energies, mechanisms, and rates! pubs.acs.org/doi/10.1021/...

I've been thinking about how reasoning models will change AI applied to science. The recent papers from Deepseek/AI2/MoonShotAI are showing that we can exceed humans on reasoning tasks and I've written up some reflections on the consequences diffuse.one/p/d1-007

First post here, how exciting!! 🥳 📣💻[JOB OFFER] I am looking for a postdoc with experience in QM/MM, MD and biosystems, and who would be motivated to study the formation mechanisms of oxydative histone modifications. Please share! #compchem #histones #PTM #redox www.linkedin.com/posts/activi...

Nucleosome spacing can fine-tune higher order chromatin assembly [labs of Rosana Collepardo-Guevara and Michael Rosen] www.biorxiv.org/content/10.1... ▶️phase separation is decided by trade-off between inter- and intramolecular nucleosome stacking, favoured by 10N+5 and 10N bp linkers, respectively