LATEST NEWS

Epithelial plasma membrane

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!

Lipid regulated channel

How a small Martini lipid can shift the conformation, and thereby effect the functioning, of an important membrane protein ... Sounds like a fairy tale ? It is for real ! See Miranda et al., Lipid Regulation of HERG1 Channel, Nature Commun. 2021. https://doi.org/10.1038/s41467-021-21681-8

Go for a Martini at the Bar

The power of combining Go-potentials with Martini is nicely demonstrated in this paper from Poma and co-workers, showing how the flexibility and membrane binding mode of an F-Bar protein can be accurately captured: Mahmood et al., Front. Biomol. Sci., 2021. https://doi.org/10.3389/fmolb.2021.619381

Moltemplate

Want to do fancy simulations ? Perhaps Moltemplate is a suitable tool - it can now generate input files which allow you to run Martini simulations for complex systems using LAMMPS.

Industrial processes

A cool example of validating Martini in capturing the phase behaviour of wax-water mixtures under confinement, fundamental to industiral processes such as the synthesis of transportation fuels. For details, see this paper from Economou and coworkers.