Complex coacervates

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Last Updated: Wednesday, 19 May 2021 09:35

7_TOC-eps-converted-to.jpgComplex coacervate formation with the latest Martini 3 model - now published in Chemical Science by our PhD student Maria Tsanai: pubs.rsc.org/en/content/artWe reproduce the salt-dependent coacervation of a system of oppositely charged biopolymers, and simulate the partitioning of ssRNA molecules between the coacervate and supernatant phases. This study opens the way to simulate biomolecular condensates and other liquid-liquid phase separation driven processes at near-atomic resolution.

Martini Perspective in Materials Science

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Last Updated: Friday, 07 May 2021 08:16

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Our perspective paper on the booming application of Martini in the field of materials science is now published in Advanced Materials:

R. Alessandri, F. Grünewald, S.J. Marrink. "Martini Perspective in Materials Science", Adv. Materials 2021. https://doi.org/10.1002/adma.202008635

CorA gating mechanism

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Last Updated: Friday, 23 April 2021 07:12

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Interested in protein gating ?

FInd our paper by Nemchinova et al. on the asymmetric gating mechanism of  CorA, a divalent ion transporter, now online in JCIM.

Featuring Martini 3.0 with Gõ-potentials to describe the protein !

Martini 3

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Last Updated: Monday, 29 March 2021 18:48

Finally the magic happened: the new version of the Martini forcefield is out. Thanks to the hard work of Paulo Telles de Souza, together with many collaborators, we are happy to share the paper, which just appeared online in Nature Methods. (or try this link for read-only).

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Image design: Clarisse Gravina Ricci

Please do not forget to read the supporting information, which is a booklet of 116 pages with all the dirty secrets making this cocktail taste so good ....  Download the new ingredients here!

Realistic membrane shapes

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Last Updated: Friday, 12 March 2021 11:42

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We wrote an opinion paper on the prospects of whole cell modeling, in particular the current efforts in the field to capture realistic membrane shapes.

Curious ? See: Pezeshkian & Marrink, Curr. Opin. Cell Biol., online.

Epithelial plasma membrane

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Last Updated: Friday, 05 March 2021 12:49

Characterization of epithelial plasma membranes with increasing complexity from O'Mara and coworkers, combining lipidomics data with Martini simulations, and highlighting the roles of specific lipids such as plasmalogens, hyrdoxylated sphingholipids, and Forssman lipids. For details: Wilson et al., JCP, 2021. https://doi.org/10.1063/5.0040887

 

Data is available for download here!