Coupling Dry Martini with Lattice Boltzmann

Brandner et al. developed a cool new method for the coupling between Dry Martini and Lattice Boltzmann Molecular Dynamics in order to include naturally hydrodynamic interactions in implicit solvent simulations of lipid systems. For details, see: Brandner et al., Scientific Reports 9, 16450 (2019). 

Chemical compound space

The team of Bereau published an interesting evaluation of the chemical space that can be represented by the MARTINI bead family. For details, see: Kanakal & Bereau, J. Chem. Phys. 51, 164106 (2019);

In memoriam Herman Berendsen

Herman_Berendsen.jpgHerman Berendsen, one of the founding fathers of molecular modeling, passed away last Monday at the respectable age of 85.

We will miss him, but his legacy is large and will last for generations to come.

MARTINI practical guide

If you would like some guidance on how to setup complex MARTINI simulations, the tips and tricks behhind the scene, have a look at this book chapter: Bruininks et al., "A Practical View of the Martini Force Field", Biomolecular Simulations, 105-127, 2019. pdf-reprint.

Post-doctoral Position in: De novo Nanopore Design

A postdoctoral position is available for a joint project between the laboratories of Prof. G Maglia and Prof. SJ Marrink at the University of Groningen, the Netherlands.
Biological nanopores are an exciting new class of biosensors, which found practical application in single-molecule DNA sequencing and single-molecule analysis. This project aims at the challenging task of de novo design of new nanopores. The prospective candidate will contribute to this aim with state-of-the-art molecular dynamics simulations and related tools, and work closely together with experimental colleagues. For more information and how to apply, see (full document).