Polarizable water model

A refined polarizable water model is now available, developed by the group of Jens Smiatek. The new model improves the behavior of Martini with long range electrostatic interactions. Available from the download section. See: J. Michalowsky, L.V. Schäfer, C. Holm, J. Smiatek. http://dx.doi.org/10.1063/1.4974833 for details.

CNT mediated membrane fusion

Joining a Martini workshop can pave the way to cool simulations and a nice paper:
R.M. Bhaskara, S.M. Linker, M. Vögele, J. Köfinger, G. Hummer. Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano, Article ASAP. DOI:10.1021/acsnano.6b05434

STiRreD Martini

Cool stuff! Dry Martini coupled to stochastic rotational dynamics to account for solvent hydrodynamics:

A. Zgorski, E. Lyman. Toward Hydrodynamics with Solvent Free Lipid Models: STRD Martini. Biophys. J. 111:2689–2697, 2016. doi:10.1016/j.bpj.2016.11.010

GPCRs in action

A topical review on CG simulations of GPCRs, featuring many Martini-based works, is now online at ACS Chemical Reviews:

X. Periole. Interplay of G Protein-Coupled Receptors with the Membrane: Insights from Supra-Atomic Coarse Grain Molecular Dynamics Simulations. Chem Rev. Article ASAP. doi:10.1021/acs.chemrev.6b00344

Replica exchange umbrella sampling

Another paper from the Sansom lab showing how protein-protein and protein-lipid PMFs with MARTINI can be efficiently obtained using replica-exchange umbrella sampling:

J. Domanski, G. Hedger, R.B. Best, P.J. Stansfeld, and M.S.P. Sansom. Convergence and sampling in determining free energy landscapes for membrane protein association. J. Phys. Chem. B, Just Accepted. doi:10.1021/acs.jpcb.6b08445

Complexity of the photosynthetic machinery captured by Martini

We proudly present the most recent work of F. J. van Eerden a PhD student in our lab, soon to graduate.

F.J. van Eerden, T. van den Berg, P.W.J.M. Frederix, D.H. de Jong, X. Periole, S.J. Marrink. Molecular dynamics of photosystem II embedded in the thylakoid membrane. JPCB,2016, Accepted Manuscript. doi:10.1021/acs.jpcb.6b06865

toc PSII