Curvature

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Last Updated: Friday, 19 August 2016 13:04

A nice study by Wang and Deserno show that the pivotal plane in a Martini DMPC bilayer is located closer to the bilayer center in comparison to an atomistic bilayer. This has important consequences for the interpretation of the effect of curvature on membrane properties. For details, please consult the full paper:

X. Wang, M. Deserno. Determining the tilt modulus by simulating membrane buckles. JPCB, online. doi: 10.1021/acs.jpcb.6b02016

Supercomplex formation

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Last Updated: Friday, 18 March 2016 23:45

Curious to see what a crowded membrane really looks like? Check out Clement's masterpiece:

C. Arnarez, S.J. Marrink, X. Periole. Molecular mechanism of cardiolipin-mediated assembly of respiratory chain supercomplexes. Chem. Sci., 2016, online. doi: 10.1039/C5SC04664E

New Perspective

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Last Updated: Saturday, 16 January 2016 11:30

Computational Microscopy

 

We published a perspective on computational modeling (computational 'microscopy') of cell membranes in the imaging series of the Journal of Cell Science:

H.I. Ingólfsson, C. Arnarez, X. Periole, S.J. Marrink. Computational 'microscopy' of cellular membranes.

J. Cell Science, 129:257-268, 2016, doi: 10.1242/jcs.176040

Martini sterols

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Last Updated: Wednesday, 23 December 2015 10:06

Keep your membranes fluid: New parameters for cholesterol, ergosterol, and hopanoids

M.N. Melo, H.I. Ingólfsson, S.J. Marrink. Parameters for Martini sterols and hopanoids based on a virtual-site description. JCP, 143, 243152 (2015); http://dx.doi.org/10.1063/1.4937783

Martini straight

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Last Updated: Monday, 19 October 2015 15:06

Boost your performance using straight cutoffs and GPUs!

D.H. de Jong, S. Baoukina, H.I. Ingólfsson, S.J. Marrink. Martini straight: boosting performance using a shorter cutoff and GPUs. Comp. Phys. Comm., 2015, in press. doi:10.1016/j.cpc.2015.09.014

See the paper for details. Here you can find the required input parameter files to benefit from the increased speed options.

Charmm-GUI Martini Maker

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Last Updated: Tuesday, 12 January 2016 12:57

insane TOC

Graphical user interface to build Martini membranes

Wonpil Im and coworkers developed a GUI for Martini as part of CHARMM-GUI. You can build complex bilayers, micelles, vesicles, and more, with proteins embedded. Try it out here!

The paper describing Martini Maker is now online:
Y. Qi, H.I. Ingólfsson, X. Cheng, J. Lee, S.J. Marrink, W. Im. CHARMM-GUI Martini Maker for coarse-grained simulations with the Martini force field. JCTC, 2015. abstract