Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules

D. S. Palmer, M.V. Fedorov

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish
Title of host publicationComputational Pharmaceutical Solid State Chemistry
EditorsYuriy A. Abramov
Place of PublicationHoboken, NJ.
PublisherJohn Wiley & Sons Inc.
ISBN (Print)9781118700747
Publication statusPublished - 6 May 2016

Keywords

  • solubility
  • solid state
  • pharmaceutical
  • drug discovery
  • solvation free energy
  • hydration free energy
  • sublimation free energy

Cite this

Palmer, D. S., & Fedorov, M. V. (2016). Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. In Y. A. Abramov (Ed.), Computational Pharmaceutical Solid State Chemistry John Wiley & Sons Inc..