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Article
Open AccessPredicting crystal form stability under real-world conditions
The physicochemical properties of molecular crystals, such as solubility, stability, compactability, melting behaviour and bioavailability, depend on their crystal form1. In silico crystal form selection has rece...
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Open AccessAuthor Correction: Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine
In the original version of this Article, there was an error in the address for affiliation 4. This has now been corrected in both the PDF and HTML versions of the Article.
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Article
Open AccessComputational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine
The active pharmaceutical ingredient rotigotine—a dopamine agonist for the treatment of Parkinson’s and restless leg diseases—was known to exist in only one polymorphic form since 1985. In 2008, the appearance...
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Open AccessComputational pharmaceutical materials science
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Article
New evidence for β′-2 p.p+2.p triacylglycerol crystal structure
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Structural analogy between β′ triacylglycerols and n-alkanes. Toward the crystal structure of β′-2 p.p+2.p triacylglycerols
The structural elements of the β′-2 polymorph of 1,3-dilauroyl-2-myristoylglycerol as found by Birker et al. (J. Am. Oil Chem. Soc. 68:895–906, 1991) were also observed in the crystal structures of other long-cha...
