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Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening
Organic molecules, such as pharmaceuticals, agro-chemicals and pigments, frequently form several crystal polymorphs with different physicochemical properties. Finding polymorphs has long been a purely experimental game of trial-and-error. Here we utilize in silico polymorph screening in combination...
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| Publicado no: | Nat Commun |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Pub. Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4525153/ https://ncbi.nlm.nih.gov/pubmed/26198974 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms8793 |
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