2007

Userscripts for the life sciences.

E. L. Willighagen, N. M. O'Boyle, H. Gopalakrishnan, D. Jiao, R. Guha, C. Steinbeck, D. J. Wild, BMC Bioinformatics, 2007, 8 487, DOI: 10.1186/1471-2105-8-487

The Crystal structure of pigment yellow 181 from laboratory powder diffraction data.

E.Pidcock, J.van de Streek, M.U.Schmidt, Z. Kristallogr., 2007, 222 713-717, DOI: 10.1524/zkri.2007.222.12.713

Supramolecular chemistry in metal recovery; H-bond buttressing to tune extractant strength.

R.S.Forgan, P.A.Wood, J.Campbell, D.K.Henderson, F.E.McAllister, S.Parsons, E.Pidcock, R.M.Swart, P.A.Tasker, Chem. Commun., 2007, 4940-4942, DOI: 10.1039/b712278k

A Knowledge-based Model of Hydrogen Bonding Propensity in Organic Crystals

P. T. A. Galek, L. Fabian, W. D. S. Motherwell, F. H. Allen, N. Feeder., Acta Crystallogr. ,Sect. B:Struct. Sci., 2007, B63 768-782, DOI: 10.1107/S0108768107030996

Powder X-ray diffraction as an emerging method to structurally characterise organic solids.

S.Karki, L.Fabian, T.Friscic, W.Jones, Org. Lett., 2007, 9 3133-3136, DOI: 10.1021/ol071329t

3-Fluorosalicylaldoxime.

P.A.Wood, R.S.Forgan, S.Parsons, E.Pidcock, P.A.Tasker, Acta Crystallogr. ,Sect. E:Struct. Rep. Online, 2007, 63 o3132, DOI: 10.1107/S1600536807020776

3-Hydroxysalicylaldoxime.

P.A.Wood, R.S.Forgan, S.Parsons, E.Pidcock, P.A.Tasker, Acta Crystallogr. ,Sect. E:Struct. Rep. Online, 2007, 63 o3131, DOI: 10.1107/S1600536807020922

Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding.

S.Karki, T.Friscic, W.Jones, W.D.S.Motherwell, Mol. Pharmaceutics, 2007, 4 347-354, DOI: 10.1021/mp0700054

Database guided conformation selection in crystal structure prediction of alanine.

T. G. Cooper, W. Jones, W. D. S. Motherwell and G. M. Day, CrystEngComm, 2007, 9 595-602, DOI: 10.1039/b702136d

Space group selection for crystal structure prediction of solvates.

A. J. Cruz Cabeza, E. Pidcock, G. M. Day, W. D. S. Motherwell and W. Jones, CrystEngComm, 2007, 9 556-560, DOI: 10.1039/b702073b

All series of multiple solvates (including hydrates) from the Cambridge Structural Database.

J. van de Streek, CrystEngComm, 2007, 9 350-352, DOI: 10.1039/b615938a

Organic crystal hydrates: what are the important factors for formation?

L. Infantes, L. Fábián and W. D. S. Motherwell, CrystEngComm, 2007, 9 65-71, DOI: 10.1039/b612529h

New software for searching the Cambridge Structural Database for solvated and unsolvated crystal structures applied to hydrates.

J. van de Streek and W. D. S. Motherwell, CrystEngComm, 2007, 9 55-64, DOI: 10.1039/b613332k

The Use of Crystallographic Databases in Structure-Based Drug Design.

S. Robertson, J. Liebeschuetz, Advances in Structure-Based Design, 2007, 43-52

Solvent inclusion in form II carbamazepine.

A. J. Cruz Cabeza, G. M. Day, W. D. S.Motherwell, W. Jones, Chem. Commun., 2007, 1600-1602, DOI: 10.1039/b701299c

A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.

G. M. Day, W. D. S. Motherwell and W. Jones, Phys. Chem. Chem. Phys. (PCCP), 2007, 9 1693-1704, DOI: 10.1039/b612190j

Importance of Molecular Shape for the Overall Stability of Hydrogen Bond Motifs in the Crystal Structures of Various Carbamazepine-Type Drug Molecules.

A. J. Cruz Cabeza, G. M. Day, W. D. S. Motherwell, and W. Jones, Cryst. Growth Des., 2007, 7 100-107, DOI: 10.1021/cg060504u

Search for a Predicted Hydrogen Bonding Motif - A Multidisciplinary Investigation into the Polymorphism of 3-Azabicyclo[3.3.1]nonane-2,4-dione.

A. T. Hulme, A. Johnston, A. J. Florence, P. Fernandes, K. Shankland, C. T. Bedford, G. W. A. Welch, G. Sadiq, D. A. Haynes, W. D. S. Motherwell, D. A. Tocher, S. L. Price, J. Am. Chem. Soc., 2007, 129 3649-3657, DOI: 10.1021/ja0687466

Dichloro[(η5-cyclopentadienyl)dimethyl(η5-3-phenylindenyl)silane]hafnium(IV): a powder study.

J.C.Burley, W.D.S.Motherwell, J.Maaranen, M.Ringwald, Acta Crystallogr. ,Sect. E:Struct. Rep. Online, 2007, 63 m238-m240, DOI: 10.1107/S1600536806051269