2010

Ant Colony Optimisation for Ligand Docking

O. Korb, J. Cole, Lect. Not. Comp. Sci., 2010, 6234 72-83, DOI: 10.1007/978-3-642-15461-4_7

New solid forms of artemisinin obtained through cocrystallisation.

S.Karki, T.Friscic, L.Fabian, W.Jones, CrystEngComm, 2010, 12 4038-4041, DOI: 10.1039/c0ce00428f

Prediction of framework-guest systems using molecular docking.

Oliver Korb, Peter A. Wood, Chem. Commun., 2010, 3318-3320, DOI: 10.1039/c003080e

Bond lengths in organic and metal-organic compounds revisited: X-H bond lengths from neutron diffraction data.

F. H. Allen, I. J. Bruno, Acta Crystallogr. ,Sect. B:Struct. Sci., 2010, B66 380-386, DOI: 10.1107/S0108768110012048

Annular tautomerism: experimental observations and quantum mechanics calculations.

A. J. Cruz-Cabeza, A. Schreyer, W. R. Pitt, J. Comput. -Aided Mol. Des., 2010, 24 575-586, DOI: 10.1007/s10822-010-9345-5

Crystal structure information in drug discovery and development: current perspectives and new possibilities from the Cambridge Crystallographic Data Centre.

C. R. Groom, F. H. Allen, Fut. Med. Chem., 2010, 2 933-939, DOI: 10.4155/FMC.10.186

The scientific impact of the Cambridge Structural Database: a citation-based study.

R. Wong, F. H. Allen, P. Willett, J. Appl. Crystallogr., 2010, 43 811-824, DOI: 10.1107/S0021889810019680

Truly Prospective Prediction: inter- and intramolecular hydrogen bonding.

P. T. A. Galek, L. Fabian, F. H. Allen, CrystEngComm, 2010, 12 2091-2099, DOI: 10.1039/b927246a

Energy Matters!

F. H. Allen, P. T. A. Galek, P. A. Wood, Cryst. Rev., 2010, 16 169-195, DOI: 10.1080/08893110903476919

The impact of accessible surface on hydrogen bond formation.

P. A. Wood, P. T. A. Galek, CrystEngComm, 2010, 12 2485-–2491, DOI: 10.1039/b926745j

Teaching 3D structural chemistry using crystal structure databases: 1. An interactive web-accessible teaching subset of the Cambridge Structural Database.

G. M. Battle, F. H. Allen, G. M. Ferrence, J. Chem. Educ., 2010, 87 809-812, DOI: 10.1021/ed100256k

Teaching 3D structural chemistry using crystal structure databases: 2. Example teaching units that utilise an interactive web-accessible subset of the Cambridge Structural Database.

G. M. Battle, F. H. Allen, G. M. Ferrence, J. Chem. Educ., 2010, 87 813-818, DOI: 10.1021/ed100257t

3D-2D-0D stepwise deconstruction of a water framework templated by a nanoporous organic-inorganic hybrid host.

J.Rocha, Fa-Nian Shi, F.A.A.Paz, L.Mafra, M.Sardo, J.Chisholm, L.Cunha-Silva, P.Ribeiro-Claro, T.Trindade, Chem. -Eur. J., 2010, 16 7741-7749, DOI: 10.1002/chem.201000431

Tunable recognition of the steroid alpha-face by adjacent pi-electron density

T.Friscic, R.W.Lancaster, L.Fabian, P.G.Karamertzanis, Proc. Nat. Acad. Sci. USA, 2010, 107 13216-–13221, DOI: 10.1073/pnas.0915142107

Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z’ structure.

R.D.L.Johnstone, M.Ieva, A.R.Lennie, H.McNab, E.Pidcock, J.E.Warren, S.Parsons, CrystEngComm, 2010, 12 2520-2523, DOI: 10.1039/b917290d

Applications of the Cambridge Structural Database in Chemical Education.

G. M. Battle, G. M. Ferrence, F. H. Allen, J. Appl. Crystallogr., 2010, 43 1208-1223, DOI: 10.1107/S0021889810024155

Molecular shape and crystal packing: a database study.

W. D. S. Motherwell, CrystEngComm, 2010, 12 3554-3570, DOI: 10.1039/c0ce00044b

High-pressure polymorphism in salicylamide.

R.D.L.Johnstone, A.R.Lennie, S.F.Parker, S.Parsons, E.Pidcock, P.R.Richardson, J.E.Warren, P.A.Wood, CrystEngComm, 2010, 12 1065-1078, DOI: 10.1039/b921288d

WebCSD - The online portal to the Cambridge Structural Database.

I. R. Thomas, I. J. Bruno, J. C. Cole, C. F. Macrae, E. Pidcock, P. A. Wood, J. Appl. Crystallogr., 2010, 43 362-366, DOI: 10.1107/S0021889810000452

Predicting stoichiometry and structure of solvates.

A.J.Cruz-Cabeza, S.Karki, L.Fabian, T.Friscic, G.M.Day, W.Jones, Chem. Commun., 2010, 46 2224-2226, DOI: 10.1039/b922955h

Universal prediction of intramolecular hydrogen bonds in organic crystals.

P. T. A. Galek, L. Fabian and F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 2010, B66 237-252, DOI: 10.1107/S0108768110003988

A list of organic kryptoracemates.

L. Fábián and C. P. Brock, Acta Crystallogr. ,Sect. B:Struct. Sci., 2010, B66 94-103, DOI: 10.1107/S0108768109053610