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Issue 44, 2016
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Can computed crystal energy landscapes help understand pharmaceutical solids?

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Abstract

Computational crystal structure prediction (CSP) methods can now be applied to the smaller pharmaceutical molecules currently in drug development. We review the recent uses of computed crystal energy landscapes for pharmaceuticals, concentrating on examples where they have been used in collaboration with industrial-style experimental solid form screening. There is a strong complementarity in aiding experiment to find and characterise practically important solid forms and understanding the nature of the solid form landscape.

Graphical abstract: Can computed crystal energy landscapes help understand pharmaceutical solids?

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Publication details

The article was received on 25 Jan 2016, accepted on 04 Apr 2016 and first published on 04 Apr 2016


Article type: Feature Article
DOI: 10.1039/C6CC00721J
Citation: Chem. Commun., 2016,52, 7065-7077
  • Open access: Creative Commons BY license
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    Can computed crystal energy landscapes help understand pharmaceutical solids?

    S. L. Price, D. E. Braun and S. M. Reutzel-Edens, Chem. Commun., 2016, 52, 7065
    DOI: 10.1039/C6CC00721J

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