Issue 44, 2016

Can computed crystal energy landscapes help understand pharmaceutical solids?

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?

Article information

Article type
Feature Article
Submitted
25 Qun 2016
Accepted
04 Agd 2016
First published
04 Agd 2016
This article is Open Access
Creative Commons BY license

Chem. Commun., 2016,52, 7065-7077

Author version available

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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