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Pharmaceutical polymorph control in a drug-mimetic supramolecular gel.
Chem Sci. 2017 Jan 1;8(1):78-84. doi: 10.1039/c6sc04126d. Epub 2016 Oct 7.
Chem Sci. 2017.
PMID: 28451150
Free PMC article.
An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics.
Pyzer-Knapp EO, Thompson HP, Day GM.
Pyzer-Knapp EO, et al.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):477-87. doi: 10.1107/S2052520616007708. Epub 2016 Jul 16.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016.
PMID: 27484370
Free PMC article.
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In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactions.
Jelfs KE, Eden EG, Culshaw JL, Shakespeare S, Pyzer-Knapp EO, Thompson HP, Bacsa J, Day GM, Adams DJ, Cooper AI.
Jelfs KE, et al.
J Am Chem Soc. 2013 Jun 26;135(25):9307-10. doi: 10.1021/ja404253j. Epub 2013 Jun 12.
J Am Chem Soc. 2013.
PMID: 23745577
Free PMC article.
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Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy.
Baias M, Widdifield CM, Dumez JN, Thompson HP, Cooper TG, Salager E, Bassil S, Stein RS, Lesage A, Day GM, Emsley L.
Baias M, et al.
Phys Chem Chem Phys. 2013 Jun 7;15(21):8069-80. doi: 10.1039/c3cp41095a. Epub 2013 Mar 18.
Phys Chem Chem Phys. 2013.
PMID: 23503809
Free article.
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