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The ability to simulate whole cells will take biological research to a new level 🦠🔬📈 Join us on 18 March 2025, 15:00 CET to hear Siewert-Jan Marrink present progress on simulating whole cells with the Martini force field Registration ➡️bit.ly/3QxQWSC Siewert-Jan Marrink

Molecular dynamics study of stiffness and rupture of axonal membranes sciencedirect.com/science/articl…

Cool paper from the Risselada group, based on Evo-MD: Toward the Evolutionary Optimisation of Small Molecules Within Coarse-Grained Simulations: Training Molecules to Hide Behind Lipid Head Groups | The Journal of Physical Chemistry B pubs.acs.org/doi/full/10.10…

Post-doc position on whole-cell modelling available at the Quantitative Cell Biology Center (Univ. of Illinois) ! Your chance to simulate entire cells with Martini and to integrate Martini with lattice microbes, in collaboration with my group. See qcb.illinois.edu/members/postdo…

CALVADOS-RNA

Benchmark of Coacervate Formation and Mechanism Exploration Using the Martini Force Field | Journal of Chemical Theory and Computation pubs.acs.org/doi/abs/10.102…

Simulations of a nano-pore inside a hybrid lipid-block copolymer membrane: doi.org/10.1002/adma.2…

New pre-print from the team! Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model from Siewert-Jan Marrink arxiv.org/abs/2503.07181 VTX VTX is available on GitHub github.com/VTX-Molecular-…… and at vtx.drugdesign.fr

1/ In my final project as part of the Corry Lab, we show the bacterial TAM complex facilitates the spontaneous flow of phospholipids from the IM to the OM in MD simulations.. biorxiv.org/content/10.110…

Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: nature.com/articles/s4146…

MartiniGlass: a Tool for Enabling Visualization of Coarse-Grained Martini Topologies | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

CGsmiles: A Versatile Line Notation for Molecular Representations across Multiple Resolutions | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

ART-SM: Boosting Fragment-Based Backmapping by Machine Learning | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…

New preprint: TS2CG v2, building and simulating membranes with any shape and lateral organisation. We got Martini Globe, Martini Möbius strip and again mitochondrion. biorxiv.org/content/10.110… Siewert-Jan Marrink Source code: github.com/weria-pezeshki…

Pre-announcement: MARTINI tutorial workshop, August 11-15th 2025 in Groningen, The Netherlands !! Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.

GoGoGoGoGoGoGoMartini3 now finally published! nature.com/articles/s4146…

PFAS surfactants self-assemble into vesicles. Exciting results based on Martini simulations from Bei Yan, highlighted in Nature: nature.com/articles/d4158…

Thrilled to share my first co-first author paper from my PhD, now published in J. Chem. Theory Comput.!@JCIM_JCTC BU Chemistry doi.org/10.1021/acs.jc…

Lateral Organization and Dynamics of the Realistic Plasma Membrane | The Journal of Physical Chemistry B pubs.acs.org/doi/10.1021/ac…