Physisorption

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Last Updated: Thursday, 22 August 2013 15:17

A Martini model to simulate physisorption of organic molecules on graphite is now available.

Physisorption
 
 
 
Cristian Gobbo, Isabelle Beurroies, David de Ridder, Rienk Eelkema, Siewert J Marrink, Steven De Feyter, Jan H van Esch, Alex H de Vries. MARTINI Model for Physisorption of Organic Molecules on Graphite. J. Phys. Chem. C, 117:15623–15631, 2013.
 
See Gobbo et al. for details.

 

New tools

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Last Updated: Saturday, 09 November 2013 13:09
New tools available: BACKWARD, a python script for fast resolution transformation, INSANE, another python script to build multi-component membranes from scratch, and ANGLEPOT, a package containing a customized version of Gromacs with special angle potentials for increased numerical stability of CG simulations.

New on the Martini pages

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Last Updated: Saturday, 09 November 2013 13:11
Recently, we have added a few new features to the Martini-website. First, there is the Martini-flowchart: if you want to start a new project using the Martini force field but have now idea where to start, this flowchart will get you started step-by-step. Second, we recently started writing a group weblog. Different* group-member will post on a regular* basis what comes to mind related* to the work in the lab. *These terms have to be taken with a grain of salt.

Martini perspective

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Last Updated: Saturday, 09 November 2013 13:11
A review of the Martini force field has appeared, with an overview of one decade of Martini applications, discussion of its limitations, and an outlook on future developments:
S.J. Marrink & D.P. Tieleman, "Perspective on the Martini model",  Chem. Soc. Rev., 42:6801-6822, 2013. Open access

Glycolipids dominate the world

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Last Updated: Monday, 15 December 2014 11:47

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
 

Read more: Glycolipids dominate the world