Martini Perspective in Materials Science

martini-materials.png

Martini applications in material science is a booming field.

We summarized the progress in this field, and provided a critical outlook, in a perspective paper which is now available in the arXiv.

Just blow it up ...

exploding tree

 

If you feel bored during the Xmas break, or simply want to get rid of your Martini frustrations, please experiment with exploding Martini-bead snowmen, Santaclaus, or other stuff you'ld like to see blasted (bunnies !).

Who says Martini is too sticky ?

We would like to wish you all a merry Christmas and a happy new year, please stay healthy and may you all have a blast ...

Swarm-CG

ao0c05469_0009.gif

From the Pavan lab: Swarm-CG, a versatile software tool for the automatic iterative parametrization of bonded parameters in coarse-grained models such as Martini.

Details of this promising method have now been published: Empereur-Mot et al., ACS Omega, 2020.

PEGylated proteins

PEGylated-protein.jpgEnhancement of proteins by PEGylation is an active area of research. To gain a better insight into these interactions or even make predictions, we published a protocol on how to simulate PEGylated proteins using the latest iteration of Martini:

F. GrĂ¼newald, P.C. Kroon, P.C.T. Souza, S.J. Marrink. Protocol for Simulations of PEGylated Proteins with Martini 3. Structural Genomics: Methods in Molecular Biology 2199:315-335, 2021. reprint

Docking of membrane protein assemblies

Interested in predicting the structure of membrane-associated protein assemblies ? Check out the latest work from the Bonvin group, partially relying on Martini to define the membrane environment: Roel-Touris et al., Nature Commun. 2020.