2009

Analysis of 50 crystal structures containing carbamazepine using the Materials Module of Mercury CSD.

S.L.Childs, P.A.Wood, N.Rodriguez-Hornedo, L.S.Reddy, K.I.Hardcastle, Cryst. Growth Des., 2009, 9 1869-1888, DOI: 10.1021/cg801056c

Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG).

T.Friscic, L.Fabian, CrystEngComm, 2009, 11 743-745, DOI: 10.1039/b822934c

Hydrogen-bond directionality at the donor H atom - analysis of interaction energies and database statistics.

P. A. Wood, F. H. Allen and E. Pidcock, CrystEngComm, 2009, 11 1563-1571, DOI: 10.1039/b902330e

Heteroaromatic rings of the future.

W. R. Pitt, D. M. Parry, B. G. Perry and C. R. Groom, J. Med. Chem., 2009, 52 2952-2963, DOI: 10.1021/jm801513z

3-Fluorosalicylaldoxime at 6.5 GPa.

P.A.Wood, R.S.Forgan, S.Parsons, E.Pidcock, P.A.Tasker, Acta Crystallogr. ,Sect. E:Struct. Rep. Online, 2009, 65 o2001, DOI: 10.1107/S1600536809029043

Testing Assumptions and Hypotheses for Rescoring Success in Protein-Ligand Docking.

N. M. O'Boyle, J.W. Liebeschuetz and J. C. Cole, J. Chem. Inf. Model., 2009, 49 1871-1878, DOI: 10.1021/ci900164f

Atomic Interactions and Profile of Small Molecules Disrupting Protein-Protein Interfaces: the TIMBAL Database.

A. P. Higueruelo, A. Schreyer, G. R. J. Bickerton, W. R. Pitt, C. R. Groom and T. L. Blundell, Chem. Biol. Drug. Des., 2009, 74 457-467, DOI: 10.1111/j.1747-0285.2009.00889.x

Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol.

S.Karki, T.Friscic, L.Fabian, P.R.Laity, G.M.Day, W.Jones, Adv. Mater., 2009, 21 3905-3909, DOI: 10.1002/adma.200900533

Knowledge-Based H-Bond Prediction to aid experimental polymorph screening

P. T. A. Galek, F. H. Allen, L. Fabian, N. Feeder, CrystEngComm, 2009, 11 2634-2639, DOI: 10.1039/b910882c

Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict high-pressure polymorphism.

R.D.L.Johnstone, A.R.Lennie, S.Parsons, E.Pidcock, J.E.Warren, Acta Crystallogr. ,Sect. B:Struct. Sci., 2009, 65 731-748, DOI: 10.1107/S0108768109039469

One-pot mechanosynthesis with three levels of molecular self-assembly: coordination bonds, hydrogen bonding and host-guest inclusion.

T.Friscic, E.Mestrovic, D.S.Samec, B.Kaitner, L.Fabian, Chem. -Eur. J., 2009, 15 12644-12652, DOI: 10.1002/chem.200901058

Polymer Backbone Conformation - a challenging task for data-base information retrieval.

D. Seebach, E. Zass, W. B. Schweizer, A. J. Thompson, A. French, B. G. Davis, G. Kyd and I. J. Bruno, Angew. Chem. ,Int. Ed., 2009, 48 9596-9598, DOI: 10.1002/anie.200904422

Predicting Inclusion Behaviour and Framework Structures in Organic Crystals.

A. J. Cruz-Cabeza, G. M. Day and W. Jones, Chem. -Eur. J., 2009, 15 13033-13040, DOI: 10.1002/chem.200901703

Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.

E. J. Gardiner, D. A. Cosgrove, R. Taylor and V. J. Gillet, J. Chem. Inf. Model., 2009, 49 2761-2773, DOI: 10.1021/ci9002816

MDASH: a multi-core-enabled program for structure solution from powder diffraction data.

T. A. N. Griffin, K. Shankland, J. van de Streek and J. Cole, J. Appl. Crystallogr., 2009, 42 360-361, DOI: 10.1107/S0021889809006852

GDASH: a grid-enabled program for structure solution from powder diffraction data.

T. A. N. Griffin, K. Shankland, J. van de Streek and J. Cole, J. Appl. Crystallogr., 2009, 42 356-359, DOI: 10.1107/S0021889809006840

The crystal structures of three novel lutidinium pamoate salts.

D.A.Haynes, Z.F.Weng, W.Jones, W.D.S.Motherwell, CrystEngComm, 2009, 11 254-260, DOI: 10.1039/b814214a

Structural Bioinformatics in Drug Discovery.

W. R. Pitt, A. P. Higueruelo and C. R. Groom, Structural Bioinformatics, 2009, 809-846

Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes.

F.S.MacKay, N.J.Farrer, L.Salassa, Hui-Chung Tai, R.J.Deeth, S.A.Moggach, P.A.Wood, S.Parsons, P.J.Sadler, Dalton Trans., 2009, 2315-2325, DOI: 10.1039/b820550g

Persistent hydrogen bonding in polymorphic crystal structures.

P. T. A. Galek, L. Fabian, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci. ,Cryst. Eng. and Mat., 2009, 65 68-85, DOI: 10.1107/S0108768108042286

Cambridge Structural Database analysis of molecular complementarity in cocrystals

L. Fabian, Cryst. Growth Des., 2009, 9 1436-1443, DOI: 10.1021/cg800861m