Really happy to participate to the @lumen-eu.bsky.social project. Here a first glimpse on how to link the different scientific communities (Molecular Dynamics, Mathematics, Hearth Science, and Humanities) through the LUMEN Data Mesh.

PhD positions in my lab (AI for Science), but with special preference for people who complement our current activities or are enthusiastic about contributing to our on going work. Looking for technically strong, independent and proactive candidates. www.chalmers.se/en/about-cha...

Check out our latest paper on the glycine receptor with @chakrapanilab.bsky.social where we show the interplay between the orthosteric and allosteric binding sites. www.science.org/doi/10.1126/...

New preprint: “When lipids embrace RNA” www.biorxiv.org/content/10.6... Using multiscale simulations (🍸 #Martini + constant-pH MD), we show that: • Local pKa ≠ global pKa • Endosomal escape is limited by persistent protonation. #LNP #MolecularDynamics

Our paper about Bentopy is now published in Protein Science! Bentopy makes assembling large-scale MD models accessible and fast. doi.org/10.1002/pro.... @janstevens.bsky.social, @cg-martini.bsky.social

Our paper on [Bentopy](doi.org/10.1002/pro....) is out in Protein Science! We developed Bentopy to make assembling large-scale MD models more accessible, building on what we learned from trying to simulate whole-cell models. Here's our updated Martini JCVI-syn3A cell model👇

Beautiful and extensive work from the @carobarisch.bsky.social and @soldatilab.bsky.social labs demonstrating that nutrient utilization in intracellular mycobacteria is dependent on their intracellular location. Visionary work!! www.biorxiv.org/content/10.6...

Happy that simulations, performed by Gabriel Diaz, stellar master student in the team, helped to decipher how PIP2 lipids help recruiting Munc13 protein to prime synaptic vesicle Collaborative work led by F. Pincet @normalesup.bsky.social full story at @pnas.org : www.pnas.org/doi/10.1073/...

Lipids challenge ligands to control receptors The behaviour of a receptor protein can be influenced by the presence of certain lipids in the membrane it is embedded in. 🔗 buff.ly/G1Zl6cZ

Excited to share the upcoming CECAM workshop: “Accessibility, Inclusivity & Visibility in Computational Chemistry”! 📅 Apr 22–24, 2026 📍 Lyon (hybrid) 💸 Free registratration: deadline Mar 31 Join us to discuss how to make #Compchem more inclusive & accessible. Contributed talks welcome!

How do lipids shape life? I explore this question in my recent talk for the Build-a-Cell 🦠 seminar series. Thanks to @kateadamala.bsky.social for hosting! Watch it here: youtu.be/JnF7hPCiSbI?...

Please share!!! I am looking for a postdoctoral researcher to join us. Focus will be on exciting collaborative projects on lipids and membrane biology, pushing the boundaries of in silico "reconstitutions". Previous experience with molecular dynamics simulations of biological systems a strong plus!

This project is joint with fab computational biologist @mattbashton.bsky.social - great opportunity to learn computational and molecular biology skills

New online: When cryo-EM modeling meets structure prediction

Go #TeamTomo! 🧪 @wilflinglab.bsky.social & @nanigrotjahn.bsky.social are on a roll! Beautiful in-cell visualization of lysosome rupture 🎈💥

Have you registered yet? Early bird registration and abstract submission are open until January 31. mosbacher-kolloquium.org

Got meself a wee project which took up my whole evening, I think people call this kind of thing a "timeline cleanse"?

📢 New preprint alert! How do proteins enter mitochondria? We uncovered a surprising mechanism at the mitochondrial entry gate—using #NMR, in vivo single-particle tracking, yeast experiments, and MD simulations to crack the code. www.biorxiv.org/content/10.6... #StructuralBiology #Mitochondria 🧵 1/8

OpenBind is a new open science effort to dramatically increase the number of protein:ligand structures in the PDB, pairing this with high-quality affinity data to enable a new generation of predictive structure and affinity models for drug discovery. Check it out: openbind.ai

🧐”Study reveals how #tuberculosis exploits immune defenses to promote infection.” 🔗to study published in Science Immunology ⬇️ Mycobacterial α-glucans hijack dectin-1 to facilitate intracellular bacterial survival www.science.org/doi/10.1126/...

Experimental tour-de-force from Anne-Claude Gavin's lab: selectivity mapping of 39 lipid transfer proteins reveals ~500 new LTP-lipid pairs. Molecular modeling by @mahmoudmoqadam.bsky.social, @rezatalandahti.bsky.social & Florian Echelard. @cbubergen.bsky.social www.nature.com/articles/s41...

First article of 2026! Happy to have our first real foray into carbohydrates out in J Phys Chem B. Excellent work by PhD candidate Esmat Mohammadi. pubs.acs.org/doi/full/10....

Sebinelli, Syska, Razmazma et al. @umontpellier.bsky.social show that the yeast protein Ist2, which localizes to ER–PM contact sites, possesses a #phospholipid scramblase activity in its ER-localized transmembrane domain that is important for several ER-related processes. rupress.org/jcb/article/...

🚨Excellent editorial in ACS Central Sci 📣 Thank you @carolynbertozzi.bskyverified.social for your support and to @louisflwilson.bsky.social for spotting these mistakes + drafting an excellent manuscript #CryoEM #StructuralBiology #vidalized ACS Central Science pubs.acs.org/doi/full/10....

Happy new year! I've so enjoyed the end-of-year lists of people's favorite papers from 2025, so I made a list of 16 #lipidtime studies from 2025 that I found interesting. Here they are in no particular order (please add more if you would like!), and here's to much more exciting science in 2026! 🧪

Happy New Year! We began the year by reading this amazing Chemistry World article by @robinson-julia.bsky.social on how AI agents are democratising computational chemistry. 🔗 www.chemistryworld.com/news/ai-agen... Image source: © Caroline Chapple, Courtesy of Chemistry World. [1/5]

🚨 Want to know how we demonstrated the importance of sterol-rich membrane microdomains for M. marinum infection? Check out our latest paper published in Science Advances 👇 www.science.org/doi/10.1126/... ✨ Big thanks to everyone, especially Cristina Boehm-Bosmani, @soldatilab.bsky.social ! ✨

I'm really excited to break up the holiday relaxation time with a new preprint that benchmarks AlphaFold3 (AF3)/“co-folding” methods with 2 new stringent performance tests. Thread below - but first some links: A longer take: fraserlab.com/2025/12/29/k... Preprint: www.biorxiv.org/content/10.6...

🌟 New Tool Alert! 
We present MemPrO – a toolkit for orienting and building membrane protein systems: 
✅ Membrane protein orientation 
✅ Mixed membrane building 
✅ Double membranes & curvature 
✅ Peptidoglycan cell wall support 🔗 github.com/pstansfeld/mempro 
📖 pubs.acs.org/doi/10.1021/...

Opportunity: postdoctoral fellowships at the center for Quantitative Cell Biology (QCB), Univ. of Illinois, in close collaboration with our group. Your ticket to become an expert in whole-cell Martini simulations ! qcb.illinois.edu/postdoctoral...

We’re excited to share our latest study that reshapes our understanding of Mycobacterium tuberculosis (Mtb) lipid composition, with major implications for drug discovery, immunity, and vaccine development. www.nature.com/articles/s41... A thread.

Ten rules for a structural bioinformatic analysis PLOS Comp Bio offers a roadmap for users to leverage the Protein Data Bank’s vast collection of protein structural models into reliable and valuable insights.

Our collective work with @tbereau.bsky.social and @pauloctsouza.bsky.social labs to automatically parametrize CG models of small molecules is now published in JCTC! Nice Christmas present for 1st author @szczukam.bsky.social and all the coauthors! pubs.acs.org/doi/full/10....

Final version is out! Our large-scale cryo-ET dataset 🔬 of Chlamydomonas reinhardtii 🦠 is now published in @cp-molcell.bsky.social Huge collaborative effort! So glad to see the community already using it to develop new resources & tools. Check it out here: shorturl.at/z4i4c #CryoEM #CryoET

Organelles do NOT have a single uniform pH. And if you think they must, because “protons diffuse fast,” this paper is for you. A thread on why that assumption is wrong; and what we found instead. 🧵 1/n

Are you interested in integrative structural biology, but feel a bit lost? Don't worry, we have you covered with our FEBS Advanced Course, Lost in Integration Vol. 2 — probing biomolecules with AI and experiments probingbiomolecules2026.febsevents.org network.febs.org/posts/integr...

Ups we did it again! Please mark your calender. EMBO Workshop “Lipid Code to Life”, taking place September 7–11, 2026, in Dresden, organized by Maria Fedorova, @lipid.bsky.social, Valerie O'Donnell, @holthuislab.bsky.social and @molcellbiophys-lab.bsky.social 🥳 Retweets = lipidlove

At BSI4, integrative structural biology conference, in a beautfiful place in Bordeaux, listening to @bonomimax.bsky.social latest work. Perfect way to finish the academic year!

Our review on Integrative modelling of biomolecular dynamics 💃 is now live at COSB We discuss approaches to integrate computational methods with time-dependent & time-resolved experiments to study protein dynamics With @dariagusew.bsky.social & Carl G. Henning Hansen doi.org/10.1016/j.sb...

Star student & postdoc Kiarash Jamali is setting up his own group at the Ellison institute in Oxford. Join him for the most exciting machine learning research in structural biology and beyond!! 🤩 #ProudPI

🔬 Call to create junior research groups at the Institut Pasteur Focus: Infectious diseases, host-microbe interactions, vaccines Special interest: AI methodologies 📅 Deadline: Feb 9, 2026 👥 2-12 years post-PhD Apply now 📝 research.pasteur.fr/en/call/crea... #JobOpportunity #Research

TT in Experimental Biophysics The Danish Institute for Advanced Study and the Dept of Physics, Chemistry and Pharmacy at the University of Southern Denmark is hiring a tenure track Assistant Professor in Biophysics or a related discipline fa-eosd-saasfaprod1.fa.ocs.oraclecloud.com/hcmUI/Candid...

Our paper on polymyxin interacting with the E. coli outer membrane is out! Simulations by the very talented @dheerajprakaash.bsky.social www.nature.com/articles/s42... To scale outer membrane protein island simulated at coarse-grained resolution with portions refined at all atom resolution.

The Frankfurt Institute for Advanced Studies (FIAS) and the newly funded Cluster of Excellence SCALE are seeking several Independent Research Group Leaders to drive theoretical and computational research in molecular and cellular life science. fias.institute/de/das-fias/...

#LivingArchitectures We put cells and cytoskeleton filaments on the architecture of the musée d'Orsay. www.musee-orsay.fr/fr/agenda/ev... Scientists of the #CytoMorphoLab adapted their protocols to illustrate the questions that keep them awake at night. -> Two shows on the 24th and 25th of January.

If you or someone you know is looking for a post-doctoral position working on mycobacterial envelope biology, please get in touch. I am recruiting here at the University of Western Ontario in London, Ontario, Canada.

Surprising discovery of a covalent activator of a C-type lectin! We identified the first covalent small-molecule activators of the human C-type lectin DC-SIGN. Instead of inhibiting glycan binding, two warheads increased DC-SIGN activity. Open access here: doi.org/10.1002/anie...

Exciting collab with Paul Palme, Peter Imming, & Adrian Richter! Guided by @courbongautier.bsky.social's structure of myco ATP synthase bound to a squaramide, they have made SQAs that are less toxic, more potent, more stable than AstraZeneca's SQ31f #MedChem #TB #NTM pubs.acs.org/doi/full/10....

Excited to share our latest research in @natmicrobiol.nature.com . We uncover hundreds of inhibitory interactions between common chemical pollutants and human gut bacteria. A thread🧵 (1/10) #microbiomesky #microsky @kiranrpatil.bsky.social lab @mrc-tu.bsky.social www.nature.com/articles/s41...