Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields

Fang-Yu Lin, Alexander D. MacKerell Jr.. Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields. Journal of Chemical Information and Computer Sciences, 59(1):215-228, 2019. [doi]

@article{LinM19-1,
  title = {Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields},
  author = {Fang-Yu Lin and Alexander D. MacKerell Jr.},
  year = {2019},
  doi = {10.1021/acs.jcim.8b00616},
  url = {https://doi.org/10.1021/acs.jcim.8b00616},
  researchr = {https://researchr.org/publication/LinM19-1},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {59},
  number = {1},
  pages = {215-228},
}