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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
2016
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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. |
format | Online Article Text |
id | pubmed-5486446 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
record_format | MEDLINE/PubMed |
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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