Martini proteins on the move

The application range of Martini keeps expanding. See for instance this recent publication from a Japanese group on conformational changes of a protein upon ligand binding:

T. Negami, K. Shimuzu, T. Terada. Chem. Phys. Lett. 742, 2020. doi:10.1016/j.cplett.2020.137144

Honorary doctorate

DOCTOR-HONORIS-CAUSA.jpg Largely based on the success story of Martini, the University Polytechnica of Bucharest has awarded Prof. Marrink a honorary doctorate ("honoris causa").

See here for more details of the ceremony, which took place on January 15th in Bucharest in the presence of the rector and several local professors, as well as the embassador of the Netherlands in Romenia.

Stress, stress, nothing but stress ....

Do you find working with lipid membranes stressful ? No wonder ! Check out this new paper from the Deserno group, and learn about how difficult it is to get rid of stress in membranes ....

Hossein & Deserno, Spontaneous curvature, differential stress, and bending modulus of asymmetric lipid membranes. Biophys. J., 2019, in press. doi.org/10.1016/j.bpj.2019.11.3398

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.

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).