LATEST NEWS

New Perspective

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, 2016, 

Martini sterols

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

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

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

Martini DNA released

Martini DNA parameters are now available at toc-v4the website: 

Martini DNA

For the publication, see:
J.J. Uusitalo, H.I. Ingólfsson, P. Akhshi, D.P. Tieleman, S.J. Marrink
Martini coarse-grained force field: extension to DNA, JCTC
(doi: 10.1021/acs.jctc.5b00286)