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...
Gespeichert in:
Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2016-01, Vol.52 (44), p.765-777 |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | 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.
Case studies illustrate how crystal structure prediction calculations can complement industrial solid form screening. |
---|---|
ISSN: | 1359-7345 1364-548X 1364-548X |
DOI: | 10.1039/c6cc00721j |