Martini developer trying to make CG models more useful for molecular design and drug/vaccine delivery 🖥️+🍸=💊💉 | Group leader at CBPsmn/ENS de Lyon | CNRS Researcher at DAMM team of LBMC/ENS de Lyon | Scientific consultant
Paulo C. T. Souza
🚀 Sponsorship opportunities still available
📍 Lyon, France | 14–16 October 2026
Registration opening soon. Stay tuned for further announcements!
#CGML2026 #MachineLearning #MolecularModeling #CoarseGrained #DrugDiscovery #Formulations #MaterialsScience
Our paper on [Bentopy](doi.org/10.1002/pro....) is out in Protein Science! We developed Bentopy to make assembling large-scale MD models more accessible, building on what we learned from trying to simulate whole-cell models. Here's our updated Martini JCVI-syn3A cell model👇
Our collective work with @tbereau.bsky.social and @pauloctsouza.bsky.social labs to automatically parametrize CG models of small molecules is now published in JCTC! Nice Christmas present for 1st author @szczukam.bsky.social and all the coauthors!
pubs.acs.org/doi/full/10....
Looking forward to #acsfall2025! Hoping to finally meet in person the colleagues I’ve long admired at the
@acscomp.bsky.social reception Sunday as well. 😄🍸
🔬 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
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
