Martini 2.2

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Last Updated: Saturday, 09 November 2013 13:13

 

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

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Last Updated: Saturday, 09 November 2013 13:13
 

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

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Last Updated: Thursday, 22 August 2013 14:07

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

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Last Updated: Thursday, 22 August 2013 14:08

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

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Membrane protein sequestering

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Last Updated: Monday, 19 August 2013 14:42

Martini in Naturerissel-domain

G. van den Bogaart, K. Meyenberg, H.J. Risselada, et al., R. Jahn
Membrane protein sequestering by ionic protein–lipid interactions.
Nature, doi:10.1038/nature10545


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CECAM Coarse-graining workshop

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Last Updated: Monday, 19 August 2013 14:42

There has been another coarse-graining workshop, 17-21 October 2011 in Lausanne, hosted by CECAM. Thanks for all attending!

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