% OPLS LigParGen citation 1
@article{OPLSLigParGen1,
  author={Jorgensen, William L. and Tirado-Rives, Julian},
  title={Potential energy functions for atomic-level simulations of water and organic and biomolecular systems},
  volume={102},
  journal={Proceedings of the National Academy of Sciences},
  number={19},
  pages={6665--6670},
  year={2005},
  publisher={National Academy of Sciences},
  issn={0027-8424},
  doi={10.1073/pnas.0408037102}
}

% OPLS LigParGen citation 2
@article{OPLSLigParGen2,
  author={Dodda, Leela S. and Cabeza de Vaca, Israel and Tirado-Rives, Julian and Jorgensen, William L.},
  title={LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands},
  journal={Nucleic Acids Research},
  volume={45},
  number={W1},
  pages={W331-W336},
  year={2017},
  doi={10.1093/nar/gkx312}
}

% OPLS LigParGen citation 3 (1.14*CM1A-LBCC)
@article{OPLSLigParGen3,
  author={Dodda, Leela S. and Vilseck, Jonah Z. and Tirado-Rives, Julian and Jorgensen, William L.},
  title={1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations},
  journal={The Journal of Physical Chemistry B},
  volume={121},
  number={15},
  pages={3864-3870},
  year={2017},
  doi={10.1021/acs.jpcb.7b00272}
}

@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}
}
