MARTINI: Difference between revisions
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[http://md.chem.rug.nl/~marrink/coarsegrain.html MARTINI] ('''MAR'''rink '''T'''oolkit '''INI'''tiative) is a [[Coarse graining |coarse grained]] forcefield suited for [[molecular dynamics]] simulations of [[Biological systems |biomolecular systems]]. The forcefield has been parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. | [http://md.chem.rug.nl/~marrink/coarsegrain.html MARTINI] ('''MAR'''rink '''T'''oolkit '''INI'''tiative) is a [[Coarse graining |coarse grained]] forcefield suited for [[molecular dynamics]] simulations of [[Biological systems |biomolecular systems]]. The forcefield has been parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. | ||
==Functional form== | |||
==Parameters== | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1021/jp036508g Siewert J. Marrink, Alex H. de Vries, and Alan E. Mark "Coarse Grained Model for Semiquantitative Lipid Simulations", Journal of Physical Chemistry B '''108''' pp.750-760 (2004)] | #[http://dx.doi.org/10.1021/jp036508g Siewert J. Marrink, Alex H. de Vries, and Alan E. Mark "Coarse Grained Model for Semiquantitative Lipid Simulations", Journal of Physical Chemistry B '''108''' pp.750-760 (2004)] | ||
Latest revision as of 14:10, 5 March 2010
MARTINI (MARrink Toolkit INItiative) is a coarse grained forcefield suited for molecular dynamics simulations of biomolecular systems. The forcefield has been parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds.
Functional form[edit]
Parameters[edit]
References[edit]
- Siewert J. Marrink, Alex H. de Vries, and Alan E. Mark "Coarse Grained Model for Semiquantitative Lipid Simulations", Journal of Physical Chemistry B 108 pp.750-760 (2004)
- Siewert J. Marrink, H. Jelger Risselada, Serge Yefimov, D. Peter Tieleman, and Alex H. de Vries "The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations", Journal of Physical Chemistry B 111 pp. 7812-7824 (2007)
- Luca Monticelli, Senthil K. Kandasamy, Xavier Periole, Ronald G. Larson, D. Peter Tieleman and Siewert-Jan Marrink "The MARTINI Coarse-Grained Force Field: Extension to Proteins", Journal of Chemical Theory and Computation 4 pp. 819–834 (2008)