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The Journal of Chemical Physics|November 4, 2017
From dimers to the solid-state: Distributed intermolecular force-fields for pyridineAlexander A Aina, Alston J Misquitta, Sarah L PriceJournal of Chemical Theory and Computation|November 26, 2015
Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil CrystalsMatthew Habgood, Sarah L Price, Gustavo Portalone, et al.Journal of the American Chemical Society|January 27, 2005
A new polymorph of 5-fluorouracil found following computational crystal structure predictionsAshley T Hulme, Sarah L Price, Derek A TocherChemical Communications (Cambridge, England)|April 9, 2011
Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acidsDoris E Braun, Panagiotis G Karamertzanis, Sarah L PriceJournal of the American Chemical Society|October 31, 2013
De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallographyMaria Baias, Jean-Nicolas Dumez, Per H Svensson, et al.Chemical Communications (Cambridge, England)|March 18, 2010
Predicting stoichiometry and structure of solvatesAurora J Cruz-Cabeza, Shyam Karki, László Fábián, et al.Journal of the American Chemical Society|February 9, 2010
Powder crystallography by combined crystal structure prediction and high-resolution 1H solid-state NMR spectroscopyElodie Salager, Graeme M Day, Robin S Stein, et al.Journal of Chemical Theory and Computation|September 12, 2017
Use of Crystal Structure Informatics for Defining the Conformational Space Needed for Predicting Crystal Structures of Pharmaceutical MoleculesLuca Iuzzolino, Anthony M Reilly, Patrick McCabe, et al.Crystal Growth & Design|May 12, 2025
One Size Fits All? Development of the CPOSS209 Data Set of Experimental and Hypothetical Polymorphs for Testing Computational Modeling MethodsLouise S Price, Matteo Paloni, Matteo Salvalaglio, et al.Acta Crystallographica. Section B, Structural Science|July 15, 2006
Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazoleHarriott Nowell, Christopher S Frampton, Julie Waite, et al.Pageof 17