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Research GBB Molecular Dynamics Group Research

MARTINI force field

The Martini model, a coarse-grained force field for biomolecular simulations, has been conceived by Marrink and coworkers about a decade ago. The current development is done primarily in the MD group in Groningen in collaboration with the modeling group of Tieleman at the Univiserity of Calgary.  Based on a building block principle, the model combines speed and versatility while maintaining chemical specificity. The Martini model has found a broad range of applications, ranging from membrane fusion to protein self-assembly and polymer dynamics. See our website for an overview.

Current efforts are directed toward the development of a Martini force field for nucleotides, the switch to a new non-bonded potential, and the design of a solvent free version of the force field, Martini-dry.

  • S.J. Marrink, D.P. Tieleman. Perspective on the Martini model. Chem. Soc. Rev., in press, 2013. DOI:10.1039/C3CS60093A. open access
  • D.H. de Jong, G. Singh, W.F.D. Bennett, C. Arnarez, T.A. Wassenaar, L.V. Schaefer, X. Periole, D.P. Tieleman, S.J. Marrink. Improved parameters for the Martini coarse-grained protein force field, JCTC, 9:687-697, 2013. open access
  • X. Periole, S.J. Marrink. The Martini coarse-grained force field. In "Methods in molecular biology", Vol 924, L. Monticelli & E. Salonen Eds., Springer, 2013, pp 533-565. abstract, reprint
  • S.O. Yesylevskyy, L.V. Schae fer, D. Sengupta, S.J. Marrink. Polarizable water model for the coarse-grained Martini force field. PLoS Comp. Biol, 6:e1000810, 2010. open access
  • C.A. Lopez, A. Rzepiela, A.H. de Vries, L. Dijkhuizen, P.H. Huenenberger, S.J. Marrink. The Martini coarse grained force field: extension to carbohydrates. J. Chem. Th. Comp., 5:3195-3210, 2009. abstract
  • S.J. Marrink, M. Fuhrmans, H.J. Risselada, X. Periole. The MARTINI force field. In "Coarse graining of condensed phase and biomolecular systems", G. Voth ed., CRC press, Chapter 2, 2008.
  • L. Monticelli, S.K. Kandasamy, X. Periole, R.G. Larson, D.P. Tieleman, S.J. Marrink. The MARTINI coarse grained forcefield: extension to proteins. JCTC, 4:819-834, 2008.
  • S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI forcefield: coarse grained model for biomolecular simulations. JPC-B, 111:7812-7824, 2007.
  • S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760, 2004.

Last modified:04 February 2020 1.16 p.m.