Very happy to see our recent work featured on the cover of the Journal of Chemical Theory and Computation 🎉
A long journey with many people involved — grateful to everyone who helped make this happen.

Paper: pubs.acs.org/doi/10.1021/...

@pubs.acs.org #MyACSCover #JCTC #Martini3

The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior Lipid membranes are central to cellular life. Complementing experiments, computational modeling has been essential in unraveling complex lipid-biomolecule interactions, crucial in both academia and industry. The Martini model, a coarse-grained force field for efficient molecular dynamics simulations, is widely used to study membrane phenomena but has faced limitations, particularly in capturing realistic lipid phase behavior. Here, we present refined Martini 3 lipid models with a mapping scheme that distinguishes lipid tails that differ by just two carbon atoms, enhancing the structural resolution and thermodynamic accuracy of model membrane systems including ternary mixtures. The expanded Martini lipid library includes thousands of models, enabling simulations of complex and biologically relevant systems. These advancements establish Martini as a robust platform for lipid-based simulations across diverse fields.

Our collaborative work "The #Martini3 #Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior" is now published in #ACSCentralScience! 🎉

📄 Read: pubs.acs.org/doi/10.1021/...

💾 GitHub: github.com/Martini-Forc...

#MolecularDynamics #Biophysics #Simulations #Lipids

🚀 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

GōMartini 3: From large conformational changes in proteins to environmental bias corrections - Nature Communications This work presents GōMartini 3, an improved coarse-grained protein model combining physics- and structure-based approaches. It boosts computational efficiency and accuracy for structured soluble and m...

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...

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

The #Martini3 #Lipidome represents a significant leap forward in molecular simulation of lipids, providing unprecedented structural resolution for Martini lipid models, refinements on bonded terms, an expanded lipid library, and enhanced phase behavior accuracy.

Looking forward to seeing how the community utilizes these new models to advance our understanding of lipid dynamics and beyond!

#LipidTime #Martini3

Huge 🚨Lipid Time🚨 for #compchem Community!

The release of the new set of #Martini3 parametrizations for a wide range of lipid types is now out on @chemrxiv.bsky.social

This milestone marks a huge step forward for simulations of lipid systems and their interactions.

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/...