1991

Electronic submission and publication of structural results inActa Crystallographica.

F. H. Allen, C. E. Bugg, E. N. Maslen, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 1991, C47 2263-2265, DOI: 10.1107/S010827019109995X

Stereoelectronic effects at carboxylate oxygen: similar basicity of the E and Z lone pairs in solution.

F. H. Allen, A. J. Kirby, J. Am. Chem. Soc., 1991, 113 8829-8831, DOI: 10.1021/ja00023a035

Crystal and molecular structure determination through imagery.

J. I. Glasgow, S. Fortier, F. H. Allen, in, Proc. 7th IEEE Conf. on AI Applications, 1991, 98-105

Automated conformational analysis from crystallographic data. 6. Principal component analysis forn-membered carbocyclic rings (n=4,5,6). Symmetry considerations and correlations with ring-puckering parameters.

F. H. Allen, M. J. Doyle, T. P. E. Auf der Heyde, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 412-424, DOI: 10.1107/S0108768190014161

Automated conformational analysis from crystallographic data. 5. Recognition of special positions in conformational space in symmetry-modified clustering algorithms.

F. H. Allen, R. Taylor, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 404-412, DOI: 10.1107/S0108768190014094

Automated conformational analysis from crystallographic data. 4. Statistical descriptors for a distribution of torsion angles.

F. H. Allen, O. Johnson, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 62-67, DOI: 10.1107/S0108768190010382

Automated conformational analysis from crystallographic data. 3. 3D Pattern recognition within the Cambridge Structural Database System: Implementation and practical examples.

F. H. Allen, M. J. Doyle, R. Taylor, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 50-61, DOI: 10.1107/S0108768190010370

Automated conformational analysis from crystallographic data. 2. Symmetry-modified Jarvis-Patrick and complete-linkage clustering algorithms for 3D pattern recognition.

F. H. Allen, M. J. Doyle, R. Taylor, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 41-49, DOI: 10.1107/S0108768190010369

Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for 3D pattern recognition.

F. H. Allen, M. J. Doyle, R. Taylor, Acta Crystallogr. ,Sect. B:Struct. Sci., 1991, B47 29-40, DOI: 10.1107/S0108768190010357

The design of a knowledge-based system for crystal structure determination.

S. Fortier, J. I. Glasgow, F. H. Allen, Direct Methods of Solving Crystal Structures, 1991, 435-440, DOI: 10.1007/978-1-4899-3692-9_47

Pharmacophoric pattern matching in files of three-dimensional chemical structures: Characterization and use of generalized valence angle screens.

A. R. Poirette, P. Willett, F. H. Allen, J. Mol. Graphics, 1991, 9 203-217, DOI: 10.1016/0263-7855(91)80013-P

The crystallographic information file (CIF): a new standard archive file for crystallography.

S. R. Hall, F. H. Allen, I. D. Brown, Acta Crystallogr. ,Sect. A:Found Crystallogr., 1991, A47 655-685, DOI: 10.1107/S010876739101067X

The development of versions 3 and 4 of the Cambridge Structural Database system.

F. H. Allen, J. E. Davies, J. J. Galloy, O. Johnson, O. Kennard, C. F. Macrae, E. M. Mitchell, G. F. Mitchell, J. M. Smith, D. G. Watson, J. Chem. Inf. Comput. Sci., 1991, 31 187-204, DOI: 10.1021/ci00002a004

DNA-drug interactions: the crystal structures of d(TGTACA) and d(TGATCA) complexed with Daunomycin.

C. M. Nunn, L. Van Meervelt, S. Zhang, M. H. Moore, O. Kennard, J. Mol. Biol., 1991, 222 167-177, DOI: 10.1016/0022-2836(91)90203-I

Einkristall-Röntgenstrukturanalysen von Oligonucleotiden und Oligonucleotid-Wirkstoff-Komplexen (Single-crystal X-ray studies of oligonucleotides and oligonucleotide-drug complexes).

W. N. Hunter, O. Kennard, Angew. Chem., 1991, 103 1254-1277, DOI: 10.1002/ange.19911031007

3'/5'-regioselectivity of introduction of the 9-fluorenyl-methoxycarbonyl group to 2"-O tetrahydropyran-2-yl and 2'o-(4-methoxytetrahydrpyran-4-yl-)-nucleosides: useful intermediates for solid phase-RNA-synthesis.

C.Lehmann, Yao-Zhong Xu, C.Christodoulou, M.J.Gait, L.Van Meervelt, M.Moore, O.Kennard, Nucleos. Nucleot., 1991, 10 1599-1614