1999

Reactions of thioarsines with metal carbonyls: synthesis and structural characterisation of [Fe-2(CO)6(μ-AsMe2)(μ-SPh)], [Fe2Cp2(CO)2(μ-AsPh2)(μ-SPh)], [Mn-2(CO)8(μ-AsPh2)(μ-SPh)] and [Co-3(μ3-S)(μ-AsPh2)(CO)6AsPh3].

G.Conole, J.E.Davies, J.D.King, M.J.Mays, M.McPartlin, H.R.Powell, P.R.Raithby, J. Organomet. Chem., 1999, 585 141-149, DOI: 10.1016/S0022-328X(99)00206-5

A dimroth rearrangement of pyrimidine nucleosides.

D.Loakes, D.M.Brown, S.A.Salisbury, J. Chem. Soc. ,Perkin Trans. 1, 1999, 1333-1337, DOI: 10.1039/a900748b

Visualisation and characterisation of non-covalent networks in molecular crystals: automated assignment of graph set descriptors for asymmetric molecules.

W. D. S. Motherwell, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 1999, B55 1044-1056, DOI: 10.1107/S0108768199006497

Carbonyl-carbonyl interactions stabilise the partially allowed Ramachandran conformations of asparagine and aspartic acid.

C. M. Deane, F. H. Allen, R. Taylor, T. L. Blundell, Prot. Eng. Des. Select., 1999, 12 1025-1028, DOI: 10.1093/protein/12.12.1025

When is a polymorph not a polymorph? Helical trimeric O-H...O synthons in trans-1,4-diethynylcyclohexane-1,4-diol.

C.Bilton, J.A.K.Howard, N.N.L.Madhavi, A.Nangia, G.R.Desiraju, F.H.Allen, C.C.Wilson, Chem. Commun., 1999, 1675-1676, DOI: 10.1039/a905025f

The Cambridge Structural Database - from raw data to applications.

S. J. Maginn, Scientific Data Management, 1999, 3 24-31

The packing density in proteins: Standard radii and volumes.

J. Tsai, R. Taylor, C. Chothia, M. Gerstein, J. Mol. Biol., 1999, 290 253-266, DOI: 10.1006/jmbi.1999.2829

Further development of a genetic algorithm for ligand docking and its application to screening combinatorial libraries. In "Rational Drug Design: Novel methodology and practical applications".

G. Jones, P. Willett, R. C. Glen, A. R. Leach, R. Taylor, ACS Symposium Series 719, 1999, 271-291, DOI: 10.1021/bk-1999-0719.ch018

SuperStar: A knowledge-based approach for identifying interaction sites in proteins.

M. L. Verdonk, J. C. Cole, R. Taylor, J. Mol. Biol., 1999, 289 1093-1108, DOI: 10.1006/jmbi.1999.2809

Crystallographic databases and knowledge bases in materials design in "Implications of Molecular and Materials Structure for New Technologies".

F. H. Allen, G. P. Shields, NATO Science Series E: Applied Sciences, 1999, 360 291-302

The Development and Application of Knowledge-Based Approaches to Molecular Design

R. Taylor, F. H. Allen, I. J. Bruno, J. C. Cole, M. Kessler, J. P. M. Lommerse, M. L. Verdonk, Cryst. Eng. :From Molecules and Crystals to Materials, 1999, 538 243-260

Crystal structure prediction and the Cambridge Structural Database.

W. D. S. Motherwell, Nova Acta Leopoldina, 1999, 79 89-98

Systematic analysis of the probabilities of formation of bimolecular hydrogen-bonded ring motifs in organic crystal structures.

F. H. Allen, W. D. S. Motherwell, P. R. Raithby, G. P. Shields, R. Taylor, New J. Chem., 1999, 23 25-34, DOI: 10.1039/a807212d

The development, status and scientific impact of crystallographic databases.

F.H. Allen, Crystallography Across the Sciences, 1999,