Optimized cholesterol

Now available: optimized Martini 2 cholesterol model which remedies the artificial  temperature gradients using loose LINCS settings. See https://doi.org/10.1021/acs.jctc.2c01032 for details. Nice work from Fábián, Thallmair, and Hummer !


The paper presenting MAD - the Martini Database Server - is now online in JCIM: https://pubs.acs.org/doi/abs/10.1021/acs.jcim.2c01375

MAD is designed for the sharing of structures and topologies of molecules parametrized with Martini. MAD also provides a GUI to convert atomistic structures into CG structures and prepare complex systems. Please check it out: https://mad.ibcp.fr

Whole-cell Martini model

We got him ! Together with the group of Zan Luthey-Schulten we modeled an entire cell (JCVI-Syn3a) at the Martini level of resolution. Featuring more than 60,000 proteins, millions of lipids and metabolites, 500 ribosomes and a 500 kbp circular dsDNA.

For details, read our perspective paper: Stevens et al., 'Molecular dynamics simulation of an entire cell', Frontiers in Chemistry, vol 11, 2023. https://doi.org/10.3389/fchem.2023.1106495



Open positions on multiscale modeling at whole-cell level

Interested in simulating entire cells and cell organelles ?

Or rather keen on improving the Martini force field and associated multiscale tools ?

Then join our team !

Apply now for a PhD (4yr) or post-doc position (2yr) in the Molecular Dynamics group at the University of Groningen, The Netherlands, headed by Prof. Siewert-Jan Marrink.

To apply, please send your CV and motivation letter as well as names of two references to This email address is being protected from spambots. You need JavaScript enabled to view it..

Deadline: Jan 31st, 2023.

Positions can be filled at any time in 2023.

Vesicles under attack



Curious to find out what happens here to a poor (Dry Martini) vesicle ?

Check the paper from Wiemann, Nguyen et al., iScience 2022.