LATEST NEWS

Lipid shape and tuberculosis

The team of Matthieu Chavent has elucidated the role of a specific class of lipids, phthiocerol dimycocerosate (DIM), in phagocytosis of macrophages such as mycobacterium tuberculosis. Read all about it in: Augenstreich et al., The conical shape of DIM lipids promotes Mycobacterium tuberculosis infection of macrophages, PNAS 2019, in press.

Martini workshop 2020

Save the date ! Forthcoming summer we will host the next Martini workshop, 23-28 August 2020 in Groningen, The Netherlands. Aimed at PhD students and postdocs that want to learn the ins and outs of the Martini force field, with lectures by the main Martini developers in the morning and hands-on computer practicals in the afternoon. Registration will open early 2020, please keep an eye on this website for announcements.

Allosteric pathway unravelled

sod1.png

Martini-based simulations of a superoxide dismutase protein reveal an allosteric pathway involving an important mutation site. Apart from the biological relevance of this finding, the study is a showcase of how the new Martini 3.0 model is able to capture allosteric coupling in proteins.  For details, see: P.C.T. Souza, S. Thallmair, S.J. Marrink, R. Mera-Adasme. An Allosteric Pathway in SOD1 Unravels the Molecular Mechanism of the G93A ALS-Linked Mutation. J. Phys. Chem. Letters, Just Accepted, 2019. doi.org/10.1021/acs.jpclett.9b02868

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); https://doi.org/10.1063/1.5119101