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aschahl.bsky.social
Postdoc in Delemotte group of Scilifelab and KTH. MD of proteins lipids and sugars.
46 posts 134 followers 217 following
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New paper out in Nature Communications from @natureportfolio.nature.com : We present #GōMartini 3 — combining structure-based Gōwith #Martini3 to better capture #protein conformational changes and environmental effects. 📄 www.nature.com/articles/s41...

submitted 17 days ago • 0 comments

With my colleague @pierrepo.bsky.social , we have an open position related to the @lumen-eu.bsky.social project If you are interested by rendering MD data more FAIR and co-developing new discovery platform for MD and beyond please apply: en: emploi.cnrs.fr/Offres/CDD/U...

submitted 24 days ago • 0 comments

Large-Scale Characterization of Chemical Bonding and Topology in the Materials Project Database, now out in Chem Mater! #chemsky #compchem #inorgchem #topology pubs.acs.org/doi/10.1021/...

submitted 31 days ago • 1 comment

✨✨ It's #glycotime for #HIV Env ✨✨ N-linked glycans modulate flexibility & MPER epitope exposure #glycotime Huge effort by @shehata92.bsky.social @lcasalino88.bsky.social with cryoET of Env in VLPs by @thevillalab.bsky.social & team 💪 Would love feedback! www.biorxiv.org/content/10.1...

submitted 51 days ago • 6 comments

Shout-out to @pierredupuy.bsky.social and colleagues! Excited to share our latest study, where we uncovered a previously unknown bacterial defense system in M. #tuberculosis: effluxosomes — dynamic membrane clusters that coordinate resistance to multiple toxic metals. shorturl.at/Ek0HD #MicroSky

submitted 52 days ago • 9 comments

Happy that MartiniGlass has found a home in JCIM. I hope the tool will be useful for everyone in the user community, whether you’re trying to make nice coherent images of your system, or just make sense of instabilities!

submitted 52 days ago • 1 comment

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...

submitted 56 days ago • 3 comments

Bien présent, en ces moments de retour a l'obscurantisme. Évidemment présent demain pour la journée des droits des femmes, qui sont d'autant plus menacés actuellement.

submitted 71 days ago • 0 comments

Usually, you just want to model a protein, and everything works nicely. Sometimes, biology annoys you with an unexpected PTM. Turns out, this PTM was more interesting than what we thought. I'm super thankful to @matthchavent.bsky.social and @jppiquem.bsky.social for letting me investigate this.

submitted 71 days ago • 0 comments

GLP-1’s lesser-known brother, GLP-2, is stirring up trouble! Excess fructose ramps up GLP-2, boosting gut glucose absorption before glucose intolerance sets in. Blocking GLP-2R prevents metabolic havoc. Time to give GLP-2 the attention it deserves! www.sciencedirect.com/science/arti...

submitted 108 days ago • 0 comments

This year's version of GROMACS is out! If you want to hear about the new features and performance improvements join our #webinar on 18 February 2025 Registration ➡️ bit.ly/40Ebbme #moleculardynamics

submitted 109 days ago • 0 comments

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...

submitted 116 days ago • 0 comments

#HelloESR 👋 Post-doc à Stockholm, j'étudie principalement le comportement de protéines en utilisant des méthodes de chimie/physique (Dynamique moléculaire), avec comme intérêt principal les applications sur la santé.

submitted 118 days ago • 0 comments

For the record, it appears to work better than electric shock treatment 🤭 www.annemergmed.com/article/S019... Congratulations for the paper 👏🏻

submitted 122 days ago • 0 comments

Check out our work, where we discover how receptor GPCR senses pH! We solved a longstanding question by developing foundational GPCR DMS tech dev + structural bio! Led by brilliant PhD student @matthewkhoward.bsky.social and Nick Hoppe w/ @amanglik.bsky.social! www.cell.com/cell/fulltex...

submitted 131 days ago • 3 comments

After some work, we’ve now made the #GitHub for our #Martini3 #LNP models and protocols publicly available: github.com/Martini-Forc... We also have a new #ChemRxiv with some minor updates: chemrxiv.org/engage/chemr... #LipidNanoparticles #MolecularDynamics #DrugDelivery #mRNA #Simulation

submitted 135 days ago • 2 comments

Happy ending (of the year): the release of our preprint, "The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior", now available on @ChemRxiv. 👉 Read the full preprint here: chemrxiv.org/engage/chemr... and get the parameters here: github.com/Martini-Forc...

submitted 142 days ago • 1 comment

Excited to announce the release of our preprint, "The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior", now available on @chemrxiv.bsky.social 👉 Read the full preprint here: chemrxiv.org/engage/chemr...

submitted 143 days ago • 3 comments

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...

submitted 150 days ago • 0 comments