Glycolipids dominate the world

Martini glycolipid force field releasedglycoworld

C.A. Lopez, Z. Sovova, F.J. van Eerden, A.H. de Vries, S.J. Marrink.
Martini force field parameters for glycolipids.
J. Chem. Theory Comput., 9:1694–1708, 2013. DOI:10.1021/ct3009655
 

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Martini 2.2

 

Try out now! Martini 2.2: Improved parameters for the protein force field

D.H. de Jong, G. Singh, W.F.D. Bennett, C. Arnarez, T.A. Wassenaar, L.V. Schäfer, X. Periole, D.P. Tieleman, S.J. Marrink
Improved Parameters For The Martini Coarse-Grained Protein Force Field, J. Chem. Th. Comp, 9:687–697, 2013. DOI:10.1021/ct300646g

martini22-toc

Curious? Go here for downloading the Martinize script which now features a beta release of Martini 2.2. Any feedback is appreciated so we can further improve the model.

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Dimerization of GPCRs

 

First report on the free energy surface of membrane protein dimerization

gcpr-dimer
 
X. Periole, A.M. Knepp, T.P. Sakmar, S.J. Marrink, T. Huber.
Structural determinants of the supra-molecular organization of
G protein-coupled receptors in bilayers.
 
JACS, 134 (26), pp 10959–10965. abstract

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Martinize

A new script to generate both structure and topology files for coarse grain proteins has been released: Martinize.py. Generating input files for a Martini simulation from an atomistic structure takes only one step!

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Critical testing of Martini

Dimerization of Martini amino acids comparable to atomistic force fields

D.H. de Jong, X. Periole, S.J. Marrink. Dimerization of amino acid side chains: lessons from the comparison of different forcefields. JCTC, 8:1003–1014, 2012. abstract

Read more: Critical testing of Martini