New: Martini cocktails featuring ionic liquids


Getting bored of the traditional Martini ingredients ? Then try spicing up your cocktail with ionic liquids ! Check out this paper for inspiring recipes, some of which feature fish oil .....

Vazquez-Salazar et al., Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction. ChemRxiv, preprint.

Advanced Memterials



Our TS2CG tool has already inspired some (read: Matthieu Chavent) to create a whole series of new artefacts, opening an entire new field of science. Advanced Memterials ? Membrengineering ? Who comes up with a catchy name ?

We can already envision the next steps, e.g., simulating fusion of two bunnies, or what would you get putting a Martini glass and a bunny together  in a simulation box ? And what would it take to stabilize these highly-curved objects with the right type of lipids and curvature stabilizing proteins ?

Of course the real challenge is now with the experimentalists to make these lipid based nano devices in the lab ....

Simulation of an entire organelle

Simulation of the membranes of an entire mitochondrion ! See how more than 5 million lipids are organized in this amazingly complex organelle, obtained with our new backmapping tool TS2CG.

Pezeshkian, Konig, Wassenaar, Marrink, Nature Commun. 11, 2296 (2020). TS2CG2.jpg


Martini workshop cancellation

Due to the ongoing coronavirus pandemic, we have decided to cancel the planned 2020 Martini workshop. Those who already registered will be notified shortly. On a positive note, we do aim to have the workshop taking place next year. You may already pencil in the tentative dates: August 22-27, 2021, Groningen, The Netherlands.

Hybrid membranes



On (rare) occasions Martini membranes are not good enough, and you might want to simulate with atomistic resolution. But then your system size explodes and you don't have this Anton machine on your desk. What next? Liu Yang figured a way to combine the best of both worlds:

Y. Liu et al., Dual Resolution Membrane Simulations Using Virtual Sites, JPC-B, 2020. doi:10.1021/acs.jpcb.0c01842