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Can computed crystal energy landscapes help understand pharmaceutical solids?

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...

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Detalles Bibliográficos
Autores principales: Price, Sarah L., Braun, Doris E., Reutzel-Edens, Susan M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5486446/
https://www.ncbi.nlm.nih.gov/pubmed/27067116
http://dx.doi.org/10.1039/c6cc00721j
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author Price, Sarah L.
Braun, Doris E.
Reutzel-Edens, Susan M.
author_facet Price, Sarah L.
Braun, Doris E.
Reutzel-Edens, Susan M.
author_sort Price, Sarah L.
collection PubMed
description 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.
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spelling pubmed-54864462017-06-27 Can computed crystal energy landscapes help understand pharmaceutical solids? Price, Sarah L. Braun, Doris E. Reutzel-Edens, Susan M. Chem Commun (Camb) Article 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. 2016-04-12 2016-06-04 /pmc/articles/PMC5486446/ /pubmed/27067116 http://dx.doi.org/10.1039/c6cc00721j Text en https://creativecommons.org/licenses/by/3.0/ This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (https://creativecommons.org/licenses/by/3.0/) .
spellingShingle Article
Price, Sarah L.
Braun, Doris E.
Reutzel-Edens, Susan M.
Can computed crystal energy landscapes help understand pharmaceutical solids?
title Can computed crystal energy landscapes help understand pharmaceutical solids?
title_full Can computed crystal energy landscapes help understand pharmaceutical solids?
title_fullStr Can computed crystal energy landscapes help understand pharmaceutical solids?
title_full_unstemmed Can computed crystal energy landscapes help understand pharmaceutical solids?
title_short Can computed crystal energy landscapes help understand pharmaceutical solids?
title_sort can computed crystal energy landscapes help understand pharmaceutical solids?
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5486446/
https://www.ncbi.nlm.nih.gov/pubmed/27067116
http://dx.doi.org/10.1039/c6cc00721j
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