1995

Direct observation of two base-pairing modes of a cytosine-thymine analogue with guanosine in a DNA Z-form duplex: significance for base analogue mutagenesis.

M. H. Moore, L. Van Meervelt, S. A. Salisbury, P. K. T. Lin, D. M. Brown., J. Mol. Biol., 1995, 251 665-673, DOI: 10.1006/jmbi.1995.0463

Space groups rare for organic structures. III. Symmorphism and inherent molecular symmetry. Errata.

A. J. C. Wilson, Acta Crystallogr. ,Sect. A:Found Crystallogr., 1995, A51 94, DOI: 10.1107/S0108767394011463

Two methylated ribonucleosides: 3-methyluridine and 1-methylinosine.

B.L.Partridge, C.E.Pritchard, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 1995, 51 1929-1932, DOI: 10.1107/S0108270195003933

Response to comment on "The extent of the relationship between the graph-theoretical and the geometrical shape coefficients of chemical compounds".

P. A. Bath, A. R. Poirette, P. Willett, F. H. Allen, J. Chem. Inf. Comput. Sci., 1995, 35 1081-1081, DOI: 10.1021/ci00028a021

Knowledge acquisition from crystallographic databases.

F. H. Allen, C. M. Bird, I. J. Bruno, O. Johnson, N. S. Stewart, The first European conference on computational chemistry, 1995, 647-666, DOI: 10.1063/1.47777

Crystal and molecular structure of 3,5-cycloheptadienyl-3,5-dinitrobenzoate.

F.H.Allen, J.A.K.Howard, N.A.Pitchford, P.G.Steel, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 1995, 51 1946-1948, DOI: 10.1107/S0108270195003957

Correlation of hydrogen-bond acceptor properties of nitrogen with the geometry of the N(sp2)→N(sp3) transition: reaction pathway for the protonation of nitrogen.

F. H. Allen, C. M. Bird, R. S. Rowland, S. E. Harris, C. H. Schwalbe, Acta Crystallogr. ,Sect. B:Struct. Sci., 1995, B51 1068-1081, DOI: 10.1107/S0108768195004800

The Molecular Information File (MIF): core specifications of a new standard file format for chemical data.

F. H. Allen, J. M. Barnard, A. P. F. Cook, S. R. Hall, J. Chem. Inf. Comput. Sci., 1995, 35 412-427, DOI: 10.1021/ci00025a009

The extent of the relationship between the graph-theoretical and the geometrical shape coefficients of chemical compounds.

P. A. Bath, A. R. Poirette, P. Willett, F. H. Allen, J. Chem. Inf. Comput. Sci., 1995, 35 714-716, DOI: 10.1021/ci00026a007

Angular spectroscopy: rapid visualization of three-dimensional substructure dissimilarity using valence angle and torsional descriptors.

F. H. Allen, P. A. Bath, P. Willett, J. Chem. Inf. Comput. Sci., 1995, 35 261-271, DOI: 10.1021/ci00024a016

Bond length relationships in diazo and diazonium compounds.

F. H. Allen, S. E. Harris (nee Garner), Acta Crystallogr. ,Sect. B:Struct. Sci., 1995, B51 378-381, DOI: 10.1107/S010876819401195X

A systematic study of coordinate precision from X-ray structure analyses. II. Predictive estimates of esd's for the general atom case.

F. H. Allen, J. C. Cole, J. A .K. Howard, Acta Crystallogr. ,Sect. A:Found Crystallogr., 1995, A51 112-121, DOI: 10.1107/S0108767394007622

A systematic study of coordinate precision from X-ray structure analyses. I. Descriptive statistics and predictive estimates of esd's for carbon atoms.

F. H. Allen, J. C. Cole, J. A. K. Howard, Acta Crystallogr. ,Sect. A:Found Crystallogr., 1995, A51 95-111, DOI: 10.1107/S0108767394007609

Search and research using databases of small molecule structures.

F. H. Allen, P. Willett, The Biochemist, 1995, 17 30-34

Knowledge representation tools for molecular scene analysis.

J. I. Glasgow, S. Fortier, D. Conklin, F. H. Allen, L. Leherte, in, Proc. 28th Hawaii Int. Conf. of Systems Sciences: Computer Tools for Molecular Modelling, 1995, 5 217-226, DOI: 10.1109/HICSS.1995.375335

DNA structure

O. Kennard, S. A. Salisbury, Molecular Biology and Biotechnology: A Comprehensive Desk Reference, 1995,

High-resolution structure of a DNA helix forming (C.G)*G base triplets.

L. Van Meervelt, D. Vlieghe, A. Dautant, B. Gallois, G. Précigoux, O. Kennard, Nature (London), 1995, 374 742-744, DOI: 10.1038/374742a0

Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 Å resolution.

G. A. Leonard, Shude Zhang, M. R. Peterson, S. J. Harrop, J. R. Helliwell, W. B. T. Cruse, B. L. d’Estaintot, O. Kennard, T. Brown, W. N. Hunter, Structure (Cambridge,MA,U. S. ), 1995, 3 335-340, DOI: 10.1016/S0969-2126(01)00165-4

2,6-Dichlorophenylguanidinum chloride.

J.Barker, H.R.Powell, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 1995, 51 1714-1716, DOI: 10.1107/S0108270195002150