MARTINI

For other uses, see Martini.

Martini is a coarse-grained (CG) force field developed by Marrink and coworkers at the University of Groningen, initially developed in 2004 for molecular dynamics simulation of lipids,[1] later (2007) extended to various other molecules. The force field applies a mapping of four heavy atoms to one CG interaction site and is parametrized with the aim of reproducing thermodynamic properties.[2]

In 2021, a new version of the force field has been published, dubbed Martini 3.[3]

  1. ^ Marrink, Siewert J.; de Vries, Alex H.; Mark, Alan E. (1 January 2004). "Coarse Grained Model for Semiquantitative Lipid Simulations". The Journal of Physical Chemistry B. 108 (2): 750–760. doi:10.1021/jp036508g. hdl:11370/6f357aca-0e36-4e9f-880c-62a50aff9ccd.
  2. ^ Marrink, Siewert J.; Risselada, H. Jelger; Yefimov, Serge; Tieleman, D. Peter; de Vries, Alex H. (1 July 2007). "The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations". The Journal of Physical Chemistry B. 111 (27): 7812–7824. doi:10.1021/jp071097f. hdl:11370/5bdbbb23-2e1a-48a4-8c27-e1b8c28d74d6. PMID 17569554.
  3. ^ Souza, Paulo C. T.; Alessandri, Riccardo; Barnoud, Jonathan; Thallmair, Sebastian; et al. (29 March 2021). "Martini 3: a general purpose force field for coarse-grained molecular dynamics". Nature Methods. 18 (4): 382–388. doi:10.1038/s41592-021-01098-3. PMID 33782607. S2CID 232421378.