Our recent paper has been published in ACS Nano. Congratulations to my PhD student, Beatrice Geiger. # FreeDTS #mesoscale #simualtions # biomembranes pubs.acs.org/doi/10.1021/...

The Martini globe. The lipids of the globe are coloured by their continent based on the tectonic plates. The Kingdom of Denmark is coloured dark red. By @fabianschuhmann.bsky.social @cg-martini.bsky.social @weria-lab.bsky.social et al in doi.org/10.1021/acs....

Hello EMBO attendees, y'all should come check out my poster on Wednesday at position 157. This time my poster will be about my primary PhD project wherein I am parameterizing a meso scale force field for plant cell walls. It's a fun project and I'm looking forward to talking to y'all about it.

Are you a postdoc stuck in the US?! Is your research stalled or are you in any way affected by the whims of that unfettered madman? Interested in MD simulations of large biomolecules?! Consider joining me at the University of Freiburg! uni-freiburg.de/frias/call-f...

Excited to share a new update to the Drude polarizable force field - phosphorylated amino acids! A long-term project that took quite a bit of effort. Great work with PhD student Laura Gil Pineda, former undergrad Candace Miller, and @alexmackerell.bsky.social authors.elsevier.com/a/1m2md1SPTB...

the Martini Pumpkin by my PhD student Isabell Lindahl. Too much fat though! TS2CG, Martini3, Martini @cg-martini.bsky.social

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/...

The 3rd Annual Danish Workshop on Advanced Molecular Simulation. This time in Aarhus

A new preprint from my group by my PhD student Adria: No attraction between proteins, they do not induce curvature, but they cluster on membranes. One of the reasons why mesoscale modeling matters. www.biorxiv.org/content/10.1...

If you’re interested in learning more about protein folding and misfolding, I’ve created a convenient reading list with a few essential papers: scholar.google.com/citations?us... scholar.google.com/citations?us...

Hey y'all, If any of you are at EBSA this year come check out my poster. You can find my poster at position 332 on Thursday. This year my poster is about the parameterization of meso scale force field for wood cell wall simulations. It's a fun topic, so def swing by if you're interested.

New €94M research centre for protein design will open at the University of Copenhagen and be led by Dek Woolfson Funded by the Novo Nordisk Foundation, the centre will operate across the Departments of Biology and & Drug Design and Pharmacology novonordiskfonden.dk/en/news/new-...

Bobo bleps when she sleeps, but doesn't realize she's blepping when she wakes up. It's amazing

This EO is a lot of words for a rule that basically says, political appointees will overrule scientists in deciding what the government considers factual information.

As of yesterday using publicly available data via Grant Watch grant-watch.us/nih-data.html: 05/24/2025 word cloud depicting 165 unique words or phrases, flagged 10904 times, within 2118 terminated NIH grants. @standupforscience.bsky.social @altnih4science.bsky.social

🚨URGENT RESPONSE CALL🚨 🌪️23 LIVES WERE LOST OVERNIGHT AS TORNADOS HIT KY. KY has one of several regions in the US without 24/7 National Weather Service coverage, due to DOGE cuts. W/out overnight monitoring, ppl don't receive weather warnings. THIS is how science cuts cost lives. shorturl.at/JgTjU

"Women are PIs on 58% of the canceled grants, although they are PIs on only 34% of all active NSF grants. Similarly, Blacks are PIs on 17% of the terminated grants, although they make only 4% of the total pool. Hispanic PIs and those with disabilities were twice as likely to lose a grant."

Yesterday, the NIH R35 “Outstanding Investigator” grant to fund scientists in my lab studying antibiotic resistance was terminated for reasons not related to the content of the science, or any actions taken by me or members of my lab

Join us to explore how #MolecularDynamics simulations support and accelerate drug discovery! 🗓️ Sep 29 - Oct 1 📍 Montelino (PG), Umbria, Italy Read more and register ➡️ bit.ly/3GFShFs #MDDB #DrugDiscovery #FAIRdata #OpenScience

They are segregationist and this will be open season for discrimination. “the Attorney General shall initiate appropriate action to repeal or amend the implementing regulations for Title VI of the Civil Rights Act of 1964 for all agencies to the extent they contemplate disparate-impact liability”

I just attended a conference in the US. We had one speaker detained and two others turned away at the border.

📢 Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social 📖 Read it here: rdcu.be/ef6YX 📝 Support the statement: bit.ly/3zVS3qm #MDDB #FAIRdata #collaboration

Homeland Security secretary Kristi Noem making content in front of the imprisoned men of El Salvador's notorious Terrorism Confinement Center mega-prison www.washingtonpost.com/technology/2...

BREAKING: People are being suspended on X in Turkey for posting videos of these protests against Erdoğan’s corrupt and repressive regime. Keep sharing everywhere.

interesting preprint from Weria Pezeshkian on general material properties of membranes Lateral tension can lead to membrane neck constriction at low tension & dilation at high tensions relevant to nuclear pores, ER, mitochondria, Golgi etc www.biorxiv.org/content/10.1...

Share with US students who had their offers of admission withdrawn for PhD programs: Apply to Canada. Check out Canadian professors, and contact us. Our system works differently here, and we are all still, technically, able to accept students for Fall 2025.

openRxiv has arrived! We’re thrilled to announce the launch of openRxiv as an independent, researcher-led nonprofit to oversee bioRxiv and medRxiv, the world’s leading preprint servers for life and health sciences. openrxiv.org/introducing-... #openRxiv #OpenScience #Preprints #bioRxiv #medRxiv

Come to Denmark 🥚

Seeing all the scientists I went to college with get fired and struggle with unemployment is indescribably sad

Registration is now open for our Benzon Symposium on "Protein structure prediction and design" Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and will feature an amazing list of speakers Get your application in before March 31st via: benzon-foundation.dk/benzon-sympo...

WHERE WILL YOU BE ON MARCH 7TH!? Head to www.standupforscience2025.org/local-event-information/ or the link in our bio to find your closest event—or add one if you're hosting one! #standupforscience2025

🚀 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...

Really happy for everyone at BPS this year. Moving to Europe means I can't make this time but hopefully I'll be able to visit in a few years

AlloViz GUI for VMD: visualization of 5-HT1B receptor allosteric network - a video accompanying our tool and poster. With E. Korchevaya, @cprcll.bsky.social , www.jana-selent.org & AlloViz colleagues. doi.org/10.1016/j.cs... www.youtube.com/watch?v=abYc...

Chemical Solutions to Structural Biology symposium. Registration and abstract submission now open: isbuc.ku.dk/chemical-sol...

🚨BREAKING. From a program officer at the National Science Foundation, a list of keywords that can cause a grant to be pulled. I will be sharing screenshots of these keywords along with a decision tree. Please share widely. This is a crisis for academic freedom & science.

What is the multiscale structure of chromatin condensates? How does it shape thermodynamic and material properties? We address this at near-atomistic resolution🔥🔥🔥 using cryoET (Rosen & Villa labs, led by H Zhou), a new multiscale model (K Russell) and cryoET-guided sims (J Huertas & J Maristany)

We have a new #tutorial posted online, this time for Gaussian-accelerated MD as implemented in NAMD. Article has been submitted to LiveCoMS, a great venue for such efforts. We welcome feedback! Yes, it's alanine dipeptide, but you have to start somewhere :) #compchem github.com/Lemkul-Lab/g...

(Short talk) Dimitrios Kolokouris from University of Copenhagen, is talking about Investigating the role of cholesterol in regulating the SLC7 family of amino acid transporters

Dr. Paulo Cesar Telles de Souza's Workshop on Mastering Parameterization in Martini3 is happening right now. Absolutely one of the most insightful talks I've attended.

and finally the first workshop by Prof. Kresten Lindorff-Larsen from University of Copenhagen. Combining experiments and simulations: theory and practical examples for disordered proteins

First short talk by Eva Smorodina from University of Oslo. Structural modeling of antibody variant epitope specificity with complementary experimental and computational techniques.

"Advances in Molecular Modeling, Copenhagen 2024" Group members getting ready to welcome the participants

First talk by Prof. Franca Fraternali from University College London. Uncovering antibody sequences and structures, their assembly and their conformational flexibility!

Congratulations to Bekah Fogarty for successfully defending her MS thesis this week! #compchemsky

FreeDTS Version 2 is now available with many updates, including OpenMP multithreading support. Easily write code and add custom functions. This release is for our workshop next week. github.com/weria-pezesh...

Hi everyone, here's a new paper I helped write with my old group back at MCW. It describes some useful critiques of AlphaFold prediction algorithms. Def check it out 😃 journals.plos.org/plosone/arti...

I made a MD starter pack! Dm or reply to be added ☺️☺️ go.bsky.app/QQjPjbL

Are you excited about finding out how new proteins emerge and evolve? So are we! Come join us in beautiful Lund! 2 year computational postdoc, in collaboration with Marie Skepö. Submit your application by December 31st for full consideration. drive.google.com/file/d/1AJIb...

Dog moment