🔬 Coarse-Grained Modeling @ ACS Fall 2025 — Program Out Now! 🚀

📍 Washington DC | Aug 17–21

- Wed, Aug 20 AM: LNPs — nucleic acid delivery → viral entry simulations
- Wed, Aug 20 PM: Proteins & multiscale modeling
- Thu, Aug 21 AM: Methods & industry

🚀 New preprint out!

"Fast Parameterization of #Martini3 Models for Fragments and Small Molecules" is now on #bioRxiv

👉 doi.org/10.1101/2025...

#AutoMartiniM3 – tool for automated #CG modeling. With @matthchavent.bsky.social, @tbereau.bsky.social and others.

#CoarseGraining #MD #DrugDiscovery

🎉 Big news! 🎉 Together with Jianing Li (Purdue Univ.) & John Shelley (@schrodingerinc.bsky.social), I’m organizing a symposium on #CG #Modeling for Molecular & Formulation Design at ACS Fall 2025 (Aug 17-21, Washington, DC)! 🔬✨ For my part, I am grateful for the support of @ensdelyon.bsky.social!

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

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...

Excited to share that our recent research using #Martini3 #CG simulations on the role of Spc2 in the yeast signal peptidase complex (SPC) has been published in the Journal of Cell Biology.

Read the full article here: rupress.org/jcb/article/...