期刊
CHEMICAL COMMUNICATIONS
卷 52, 期 44, 页码 7065-7077出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cc00721j
关键词
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资金
- Cambridge Crystallographic Data Centre
- Eli Lilly and Company
- EPSRC [EP/K039229/1, EP/F03573X/1]
- Elise Richter programme of the Austrian Science Fund (FWF) [V436-N34]
- Engineering and Physical Sciences Research Council [EP/K039229/1, EP/F03573X/1] Funding Source: researchfish
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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