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In our article published today nature , we report complete all-atom structural models of a fully packaged bacteriophage particle. Congratulations to Kush Coshic on his first publication! Many thanks to Chris Maffeo and David Winogradoff for pushing this 6-year project forward.

Happy to have had a small MD contribution to this amazing work by Lyan van der Sleen. Definitely worth a read! doi.org/10.1016/j.celr…

Wow, these simulations look stunning! Can’t wait to delve into the details and learn more about MEGA mucins 🤯

We explored the mechanisms behind slower diffusion of cytosolic proteins at the cell poles of E. coli using SMdM microscopy Polyribosomes❌ mRNA❓ Protein aggregates, cell aging✅ Happy to be the part of Linnik LenOvosh et al. team! Membrane Enzymology doi.org/10.1038/s42003…

Great to see this review paper out! 🥳 I had a lot of fun helping with this, the first paper from my time here in Groningen! Check it out here 👇

Hello, my absolutely lovely membrane peeps! Would you maybe, pretty-please, let me proudly steer you to a MINI-REVIEW I recently wrote? It’s on asymmetric membranes in general, and differential stress in particular—subjects that I am massively interested in right now! 1/26

New preprint from a nice collaboration between the @IpbsToulouse Integrative Biological NMR team and my lab ( LMGM CBI Toulouse ): "Coarse-graining the recognition of a glycolipid by the C-type lectin Mincle receptor " spearheaded by Maxime Noriega biorxiv.org/content/10.110…

I’m thrilled to be able to announce that we were granted a NWO Summit grant entitled ‘Evolving Life from Nonlife’ (EVOLF) with 40 million euro for a 10-year project aimed to cross the gap between non-life and life by assembling a living synthetic cell from lifeless biomolecules!

You can no fly through our cell model on a poster 🤯 Amazing renders of our cell model!!

I wrote a piece for this issue of Microbiology Today! I got to reflect on the rise of AI and what we need to consider going forward 🖥️ You can check it out here 👇

I have been working like absolute crazy over the past two months for this - #MolecularNodes 4.2 is now released for #b3d 4.2 A huge number of new features - which I will cover some here. - Selections using MDAnalysis @mdanalysis.bsky.social selection language are updated live.

Register for our next workshop with CECAM to discuss the recent developments and upcoming challenges in #MolecularDynamics simulations. 🗓️October 7-9, 2024 📍Lausanne, Switzerland & Online More details➡️bit.ly/3Slrq4t #MDDB #FAIRdata #openscience

It took some time, but Anna’s Anna Borowska beautiful work on the exchange mechanism of ASCT2 is now out. Together with twitterless Gabriella and @CPaulino Alisa Garaeva Jan Rheinberger Siewert-Jan Marrink nature.com/articles/s4146…

On the way to #ACSFall2024. Looking forward to meeting friends and making new ones. On Thursday (4110400) I will present our (Riccardo Alessandri 🇺🇦, Jan Stevens, PauloCTSouza) advances on #polyplyMD for macromolecule modeling. Drop me a DM for anything #Martini3 you wann talk about.

Martini 3 OliGo̅mers: A Scalable Approach for Multimers and Fibrils in GROMACS - Great work from Bart Bruininks, now in JCTC: pubs.acs.org/doi/10.1021/ac…

Glad to share our collaborative effort with Siewert-Jan Marrink Jan Brezovsky Nishita Mandal to study emergent protein tunnels by coarse-grained methods incl. our 💪 GōMartini 3 approach. Guess which method is recovering good agreement with all-atom MD. biorxiv.org/content/10.110…

Various PhD/post-doc positions available to work on synthetic cells, including purely computational projects in our group ! nature.com/naturecareers/…

The CECAM-MDDB workshop on "Pushing the frontiers of molecular dynamics simulations" has started today in Lausanne & online! Interested in learning more about how MDDB is creating the first unified database for MD simulations? Visit mddbr.eu

DNA plectonemes are intertwined loops which form when a single DNA molecule is stretched and twisted. Plectonemes are found in bacterial and eukaryotic cells and play important role in several biochemical processes as gene expression etc... 1/5 arxiv.org/abs/2410.23145