@article{Martini3,
abstract={The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 (http://cgmartini.nl), with an improved interaction balance, new bead types and expanded ability to include specific interactions representing, for example, hydrogen bonding and electronic polarizability. The updated model allows more accurate predictions of molecular packing and interactions in general, which is exemplified with a vast and diverse set of applications, ranging from oil/water partitioning and miscibility data to complex molecular systems, involving protein–protein and protein–lipid interactions and material science applications as ionic liquids and aedamers.},
author={Souza, Paulo C T and Alessandri, Riccardo and Barnoud, Jonathan and Thallmair, Sebastian and Faustino, Ignacio and Grünewald, Fabian and Patmanidis, Ilias and Abdizadeh, Haleh and Bruininks, Bart M H and Wassenaar, Tsjerk A and Kroon, Peter C and Melcr, Josef and Nieto, Vincent and Corradi, Valentina and Khan, Hanif M and Domański, Jan and Javanainen, Matti and Martinez-Seara, Hector and Reuter, Nathalie and Best, Robert B and Vattulainen, Ilpo and Monticelli, Luca and Periole, Xavier and Tieleman, D Peter and de Vries, Alex H and Marrink, Siewert J},
doi={10.1038/s41592-021-01098-3},                                             
issn={1548-7105},                                                             
journal={Nature Methods},                                                     
title={{Martini 3: a general purpose force field for coarse-grained molecular dynamics}},
url={https://doi.org/10.1038/s41592-021-01098-3},                             
year={2021},
volume={18},
pages={382--388}                                                                
}
@article{polyply,
  title={Polyply; a python suite for facilitating simulations of (bio-) macromolecules and nanomaterials},
  author={Grunewald, Fabian and Alessandri, Riccardo and Kroon, Peter C and Monticelli, Luca and Souza, Paulo CT and Marrink, Siewert J},
  journal={Nature Communications},
  doi={10.1038/s41467-021-27627-4},
  year={2022},
  volume={13},
  pages={68}
}
@article{PPEs,
  title={Martini 3 coarse-grained force field for poly(para-phenylene ethynylene)s},
  author={Brosz, Matthias and Michelarakis, Nicholas and Bunz, Uwe H. F. and Aponte-Santamaría, Camilo and Gräter, Frauke},
  journal={Phys. Chem. Chem. Phys.},
  doi={10.1039/D1CP04237H},
  year={2022},
  volume={24},
  issue={17},
  pages={9998--10010},
  publisher={The Royal Society of Chemistry},
  url={http://dx.doi.org/10.1039/D1CP04237H},
}
