Why is it so difficult to predict accurate mutational effects on protein stability? We explored the contribution from changes in native state configurational entropy in this paper, which also happens to be the last from my PhD. A short thread of why this matters. 1/n doi.org/10.48550/arX...

arXiv q-bio.BM Biomolecules@qbiobm-bot.bsky.social · 4mo ago

Lindorff-Larsen, Best, Mittermaier, Kay, Dobson, Vendruscolo: Detection of residual native state entropy changes upon mutation in Fyn SH3 https://arxiv.org/abs/2605.14496 https://arxiv.org/pdf/2605.14496 https://arxiv.org/html/2605.14496

Proud and honoured to receive the Novo Nordisk Foundation’s Prize for Natural Science Teachers together with Birthe Kragelund and Karen Skriver Teaching takes a village, and I owe many many thanks to amazing colleagues, students, and collaborators over the years science.ku.dk/english/pres...

BIO team receives Novo Nordisk Foundation Prize

Birthe B. Kragelund, Karen Skriver, and Kresten Lindorff-Larsen has worked to strengthen the natural science teaching for years. They're now being awarded The Novo Nordisk Foundation’s Prize for Natur...

science.ku.dk

We are hiring a postdoc in computational biophysics and machine learning studies of intrinsically disordered proteins We aim to study the function of IDPs by combining CG MD, ML and bioinformatics in collaboration with @tanjamittag.bsky.social & @rhp-lab.bsky.social tinyurl.com/REWIRE-PD

Our latest paper in which we use multiple force fields to recover various conformations of the ribose transporter from E. coli. The work of DPhil student Nikolai Juraschko and postdoc Florencia Klein Rocha pubs.acs.org/doi/full/10....

Characterizing the Conformational Dynamics of the Ribose Transporter B Protein in Escherichia coli: Enhanced Sampling via Multiple Force Fields

We present a molecular dynamics simulation study of the E. coli ribose transporter protein B (RbsB), a conformationally labile protein found in the periplasm of the bacterium. The ribose transporter e...

pubs.acs.org

We had a great time at BPS 2026! Sad to conclude my time on the Theory & Comp subgroup committee but I enjoyed that service and made new friends along the way. Until Philly in 2027!

Stand up for science on March 7th! @standupforscience.bsky.social If we don’t stand up no one will

Why did my airbnb host throw out my meal prep? I am now hangry trying to analyze MD simulations -_-

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/...

Bimodal Mechanical Response of Membrane Necks: Implications for the Nuclear Envelope

Among the fascinating shapes that biomembranes exhibit are stomatocytes with multiple membrane necks, found for example in nuclear membranes and open autophagosomes. These morphologies, characterized ...

pubs.acs.org

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

Anna Duncan@drannaduncan.bsky.social · 11mo ago

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/...

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-...

New Danish research centre to make designed proteins with vast potential - Novo Nordisk Fonden

novonordiskfonden.dk

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.

Restoring Gold Standard Science

By the authority vested in me as President by the Constitution and the laws of the United States of America, including section 7301 of title 5, United

whitehouse.gov

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

Multiple deaths reported in Somerset and London due to late night tornadoes UPDATED

The towns of Somerset and London have been hit particularly hard with many homes and buildings damaged in the early morning hours.

weku.org

"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."

David Malakoff@davidmalakoff.bsky.social · last yr.

Another scoop from Jeff Mervis (@policyhound.bsky.social): NSF's ~1400 grant terminations have disproportionately affected PIs from groups underrepresented in science: women, racial & ethnic minorities, & those with disabilities. 1/3 www.science.org/content/arti...

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”

My god. He’s gone after the Civil Rights Act!!!! www.whitehouse.gov/presidential...

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

Chris Ashwood@cashwood.proteaglyco.com · last yr.

There are great conferences and science in the US, but with the way things are right now, it’s too risky to attend.

📢 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...