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Can computed crystal energy landscapes help understand pharmaceutical solids?

Price, SL; Braun, DE; Reutzel-Edens, SM; (2016) Can computed crystal energy landscapes help understand pharmaceutical solids? Chem. Commun. , 52 (44) pp. 7065-7077. 10.1039/C6CC00721J. Green open access

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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.

Type: Article
Title: Can computed crystal energy landscapes help understand pharmaceutical solids?
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/C6CC00721J
Publisher version: http://dx.doi.org/10.1039/C6CC00721J
Additional information: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0) history.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1503713
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