A Practical View of the Martini Force FieldBruininks, B. M. H., Souza, P. C. T. & Marrink, S. J., 2019, Biomolecular Simulations: Methods in Molecular Biology. Bonomi, M. & Camilloni, C. (eds.). Humana, NY: SPRINGER, p. 105-127 23 p. (Methods in Molecular Biology; vol. 2022).
Research output: Chapter in Book/Report/Conference proceeding › Chapter › Academic › peer-review
Martini is a coarse-grained (CG) force field suitable for molecular dynamics (MD) simulations of (bio)molecular systems. It is based on mapping of two to four heavy atoms to one CG particle. The effective interactions between the CG particles are parametrized to reproduce partitioning free energies of small chemical compounds between polar and apolar phases. In this chapter, a summary of the key elements of this CG force field is presented, followed by an example of practical application: a lipoplex-membrane fusion experiment. Formulated as hands-on practice, this chapter contains guidelines to build CG models of important biological systems, such as asymmetric bilayers and double-stranded DNA. Finally, a series of notes containing useful information, limitations, and tips are described in the last section.
|Title of host publication||Biomolecular Simulations|
|Subtitle of host publication||Methods in Molecular Biology|
|Editors||M. Bonomi, C. Camilloni|
|Place of Publication||Humana, NY|
|Number of pages||23|
|Publication status||Published - 2019|
|Name||Methods in Molecular Biology|