Dimerization of GPCRs


First report on the free energy surface of membrane protein dimerization

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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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

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Membrane protein sequestering

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

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

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Domain induced protein sorting


Publication in Proc. Nat. Acad. Sci. USA

L.V. Schafer, D.H. de Jong, A. Holt, A.J. Rzepiela, A.H. de Vries,
B. Poolman, J.A. Killian, S.J. Marrink
Lipid packing drives the segregation of transmembrane helices
into disordered lipid domains in model biomembranes.
PNAS, 108 (4) 1343-1348, 2011, open access

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