Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water

Yiannis N. Kaznessis, Mark E. Snow, C. John Blankley. Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water. Journal of Computer-Aided Molecular Design, 15(8):697-708, 2001. [doi]

@article{KaznessisSB01,
  title = {Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water},
  author = {Yiannis N. Kaznessis and Mark E. Snow and C. John Blankley},
  year = {2001},
  url = {http://ipsapp008.lwwonline.com/content/getfile/4830/34/1/abstract.htm},
  tags = {C++, e-science, partitioning},
  researchr = {https://researchr.org/publication/KaznessisSB01},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {15},
  number = {8},
  pages = {697-708},
}