Thanks to sponsors: Google Cloud & MolCube!

📄 Full program: acs.digitellinc.com/live/35/page...

#ACSFall2025 #ComputationalChemistry #CoarseGrainedModeling

🤝 Join Our Sponsors! We already have great support but welcome more! Interested in sponsoring our ACS Fall 2025 symposium on Coarse-Grained Modeling? Contact us:

📩 Jianing Li: jianing-li@purdue.edu
📩 John Shelley: john.shelley@schrodinger.com
📩 Paulo Souza: paulo.telles_de_souza@ens-lyon.fr

📢 Call for Speakers! Want to present at ACS Fall 2025 in Washington, DC (Aug 17-21)? Submit an abstract for our Coarse-Grained Modeling symposium!

www.acs.org/events/fall....

#ACSFall2025 #CG #MolecularDesign #FormulationDesign

From my side, thanks for the support of #LBMC (
@lbmcinlyon.bsky.social), #CBPsmn (Centre Blaise Pascal de Simulation et de Modélisation Numérique), #ENSdeLyon (École normale supérieure de Lyon), CNRS (@cnrs.bsky.social), CNRS Délégation Rhône Auvergne and CNRS Biologie (@cnrsbiologie.bsky.social).

Whether you're new to #ComputationalModeling or an expert, this review explores how #MolecularDynamics & #machinelearning advance #API encapsulation, transport, and release—bridging experimental & computational research for better #DrugDelivery.

For those who missed it, here’s the original Linkedin post about our work: www.linkedin.com/feed/update/...

and get the parameters here: github.com/Martini-Forc...

From my side, thanks for the support of #LBMC (@lbmcinlyon.bsky.social), #CBPsmn (Centre Blaise Pascal de Simulation et de Modélisation Numérique), #ENSdeLyon (École normale supérieure de Lyon), CNRS (@cnrs.bsky.social), CNRS Délégation Rhône Auvergne and CNRS Biologie (@cnrsbiologie.bsky.social).

Highlight 4) Enhanced Phase Behavior: Refined models address previous limitations, capturing phase transitions with greater accuracy.

Highlight 3) Martini Lipid Benchmark: We introduce a benchmarking dataset for lipid properties, a valuable target for all lipid force fields.

Highlight 2) Comprehensive Lipid Library: Thousands of lipid models, spanning numerous lipid classes, open up exciting possibilities for studying biologically relevant systems.

Highlight 1) Improved Structural Resolution: A refined mapping scheme allows distinction between lipid tails differing by just two carbon atoms, boosting both structural and thermodynamic accuracy.

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.