Doping with Martini

A nice example of how Martini can help you improving your performance, featuring the first Martini 3.0 dope:

Liu, Qiu, Alessandri, et al., Enhancing Molecular n-Type Doping of Donor–Acceptor Copolymers by Tailoring Side Chains. Advanced Materials, 2018, online.

Merry Christmas and a happy new year!

exploding tree


We would like to wish you all a merry Christmas and a happy new year, may you all have a blast!

If you feel bored during the Xmas break, please provide us with movies of exploding Martini-bead snowmen, Santaclaus, or other stuff you'ld like to see blasted.

Who says Martini is too sticky ??

Lipidated aminoacids

Adding a lipid to your protein will be a piece of cake from now on.

Yoav Atsmon-Raz, and D. Peter Tieleman. Parameterization of Palmitoylated Cysteine, Farnesylated Cysteine, Geranylgeranylated Cysteine and Myristoylated Glycine for the Martini Force Field  J. Phys. Chem. B,16 Nov 2017. article

The adapted they used for adding the tails.

Brain plasma membrane

brain plasmamembrane

Lipid organization and dynamics of biologically complex plasma membranes; comparison of on idealized brain to an average membrane mixture.

H.I. Ingólfsson, T.S. Carpenter, H. Bhatia, P.T. Bremer, S.J. Marrink, F.C. Lightstone. Computational Lipidomics of the Neuronal Plasma Membrane. Biophys. J. 113:2271–2280, 2017. open access

Sticky proteins

Current force fields tend to overstabilize protein-protein interactions, and Martini is no exception. A recent paper by the Vattulainen group shows the stickiness is also haunting membrane embedded proteins:

M. Javanainen, H. Martinez-Seara, I. Vattulainen. PLoS ONE 12:e0187936, 2017.

We are working hard to improve the protein-protein interactions in the forthcoming Martini 3.0 force field, featuring a thoroughly recalibrated interaction matrix, with a planned release early 2018.