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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.

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Abstract

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

Item type: Article
ID code: 39190
Keywords: solvation , integral, equation, theory, rism, pharmaceutical care, adme, admet, pharmacokinetics, pharmacology, industry, Pharmacy and materia medica
Subjects: Medicine > Pharmacy and materia medica
Department: Faculty of Science > Physics
Related URLs:
Depositing user: Pure Administrator
Date Deposited: 17 Apr 2012 09:30
Last modified: 04 Oct 2012 14:17
URI: http://strathprints.strath.ac.uk/id/eprint/39190

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