Harnessing Cloud Architecture for Crystal Structure Prediction Calculations
- 3 October 2018
- journal article
- research article
- Published by American Chemical Society (ACS) in Crystal Growth & Design
- Vol. 18 (11), 6891-6900
- https://doi.org/10.1021/acs.cgd.8b01098
Abstract
No abstract availableKeywords
Funding Information
- XtalPi Inc.
This publication has 29 references indexed in Scilit:
- Molecular Crystal Structure PredictionPublished by Elsevier BV ,2017
- Report on the sixth blind test of organic crystal structure prediction methodsActa crystallographica Section B, Structural science, crystal engineering and materials, 2016
- Computational Pharmaceutical Solid State ChemistryPublished by Wiley ,2016
- Crystal Polymorphism in Chemical Process DevelopmentAnnual Review of Chemical and Biomolecular Engineering, 2011
- Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind testActa crystallographica Section B, Structural science, crystal engineering and materials, 2009
- Crystal structure prediction from first principlesNature Materials, 2008
- (1R,2S)-4-(2-Cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzonitrile, a potent androgen receptor antagonist for stimulating hair growth and reducing sebum productionBioorganic & Medicinal Chemistry Letters, 2007
- A third blind test of crystal structure predictionActa crystallographica Section B, Structural science, crystal engineering and materials, 2005
- Crystal structure prediction of small organic molecules: a second blind testActa crystallographica Section B, Structural science, crystal engineering and materials, 2002
- A test of crystal structure prediction of small organic moleculesActa crystallographica Section B, Structural science, crystal engineering and materials, 2000