A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules

Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen. A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules. Journal of Chemical Information and Computer Sciences, 52(2):409-419, 2012. [doi]

@article{PoehlsgaardHJO12,
  title = {A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules},
  author = {Jacob Poehlsgaard and Kasper Harpsøe and Flemming Steen Jørgensen and Lars Olsen},
  year = {2012},
  doi = {10.1021/ci200345f},
  url = {http://dx.doi.org/10.1021/ci200345f},
  researchr = {https://researchr.org/publication/PoehlsgaardHJO12},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {52},
  number = {2},
  pages = {409-419},
}