Computational drug discovery : hydration behavior of de novo designed pharmaceuticals

Palmer, David and Fedorov, Maxim (2010) Computational drug discovery : hydration behavior of de novo designed pharmaceuticals. G.I.T. Laboratory Journal Europe. pp. 2-4.

Abstract

We report on an accurate computational method to calculate hydration free energies - a key property in predicting the pharmacokinetics of novel pharmaceutical molecules.

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• Item metadata

  Item type:	Article
  ID code:	39190
  Dates:	Date Event November 2010 Published
  Subjects:	Medicine > Pharmacy and materia medica
  Department:	Faculty of Science > Physics
  Depositing user:	Pure Administrator
  Date deposited:	17 Apr 2012 08:30
  Last modified:	08 Apr 2024 19:54
  Related URLs:	http://www.laboratory-journal.com/scienc...
  URI:	https://strathprints.strath.ac.uk/id/eprint/39190