MARTINI

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.

References

1. 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)
2. 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)
3. 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)