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.
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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 |
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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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