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Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.
Acta Crystallogr B. 2009 Apr;65(Pt 2):107-25. doi: 10.1107/S0108768109004066. Epub 2009 Mar 16.
Acta Crystallogr B. 2009.
PMID: 19299868
Polymorph identification and crystal structure determination by a combined crystal structure prediction and transmission electron microscopy approach.
Eddleston MD, Hejczyk KE, Bithell EG, Day GM, Jones W.
Eddleston MD, et al. Among authors: hejczyk ke.
Chemistry. 2013 Jun 10;19(24):7874-82. doi: 10.1002/chem.201204368. Epub 2013 Apr 16.
Chemistry. 2013.
PMID: 23592444
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Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine.
Cooper TG, Hejczyk KE, Jones W, Day GM.
Cooper TG, et al. Among authors: hejczyk ke.
J Chem Theory Comput. 2008 Oct 14;4(10):1795-805. doi: 10.1021/ct800195g.
J Chem Theory Comput. 2008.
PMID: 26620182
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Determination of the crystal structure of a new polymorph of theophylline.
Eddleston MD, Hejczyk KE, Bithell EG, Day GM, Jones W.
Eddleston MD, et al. Among authors: hejczyk ke.
Chemistry. 2013 Jun 10;19(24):7883-8. doi: 10.1002/chem.201204369. Epub 2013 Apr 16.
Chemistry. 2013.
PMID: 23592497
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