DNA nanopores
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- Last Updated: Monday, 18 September 2017 10:39
A nice application of the Martini DNA model in assessing properties of membrane spanning DNA-based nanopores:
Maingi et al., Nature Comm. 14784 (2017). doi:10.1038/ncomms14784
Intoxicated MscL (too many Martinis ?)
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- Last Updated: Monday, 18 September 2017 10:39
Membrane mediated effects of alcohols on MscL function revealed using
high throughput, 600+, Martini simulations.
M.N. Melo, C. Arnarez, H. Sikkema, N. Kumar, M. Walko, H.J.C. Berendsen, A. Kocer, S.J. Marrink, H.I. Ingólfsson. High-throughput simulations reveal membrane-mediated effects of alcohols on MscL gating. JACS, 139:2664–2671, 2017. open access
Martini Solar Cells
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- Last Updated: Monday, 18 September 2017 10:39
Martini is also suited for non-biological applications. Check out our latest work on bulk heterojunction morphologies for organic solar cells. Mixtures of poly(3-hexyl-thiophene) (P3HT) and phenyl-C61-butyric acid methyl ester (PCBM), solvated in chlorobenzene, slowly dried and cooked to perfection !
R. Alessandri, J.J. Uusitalo, A.H. De Vries, R.W.A. Havenith, S.J. Marrink. Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations. JACS, 139:3697–3705, 2017. open access
NEW ! Want to get a more concrete idea of what this is about? Check the associated ACS LiveSlides presentation !
TIP ! Check the newest downloads if you want to try the simulations yourself !
Polarizable water model
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- Last Updated: Monday, 18 September 2017 10:39
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
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- Last Updated: Monday, 18 September 2017 10:39
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
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- Last Updated: Monday, 18 September 2017 10:39
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