2000

Synthesis and incorporation of pyrrole carboxamide nucleosides by DNA polymerases.

D. Loakes, M. J. Guo, D. M. Brown, S. A. Salisbury, C. L. Smith, I. Felix, S. Kumar, S. Nampalli, Nucleosides,Nucleotides Nucleic Acids, 2000, 19 1599-1614, DOI: 10.1080/15257770008045449

Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation.

J. W. M. Nissink, M. L. Verdonk, G. Klebe, J. Comput. -Aided Mol. Des., 2000, 14 787-803, DOI: 10.1023/A:1008109717641

Establishing structural repetivity in systems with interaction interference: crystal engineering in the gem-alkynol family.

N.N.L.Madhavi, C.Bilton, J.A.K.Howard, F.H.Allen, A.Nangia, G.R.Desiraju, New J. Chem., 2000, 24 1-5, DOI: 10.1039/a908233f

The halogen trimer synthon in crystal engineering: low-temperature. X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene.

C.K.Broder, J.A.K.Howard, D.A.Keen, C.C.Wilson, F.H.Allen, R.K.R.Jetti, A.Nangia, G.R.Desiraju, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, 56 1080-1084, DOI: 10.1107/S0108768100011551

Crystal engineering in thegem-alkynol family. Synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O-H...O hydrogen bonds.

C.Bilton, J.A.K.Howard, N.N.L.Madhavi, A.Nangia, G.R.Desiraju, F.H.Allen, C.C.Wilson, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, 56 1071-1079, DOI: 10.1107/S010876810001154X

Crystal engineering in thegem-alkynol family. Interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diols.

N.N.L.Madhavi, G.R.Desiraju, C.Bilton, J.A.K.Howard, F.H.Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, 56 1063-1070, DOI: 10.1107/S0108768100011496

Graph set and packing analysis of H-bonded networks in polyamide structures in the Cambridge Structural Database.

W. D. S. Motherwell, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, B56 857-871, DOI: 10.1107/S0108768100007230

Intramolecular hydrogen bonds: common motifs, probabilities of formation and implications for supramolecular organisation.

C. Bilton, J. A. K. Howard, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, B56 849-856, DOI: 10.1107/S0108768100003694

A test of crystal structure prediction of small organic molecules.

J.P.M.Lommerse, W.D.S.Motherwell, H.L.Ammon, J.D.Dunitz, A.Gavezzotti, D.W.M.Hofmann, F.J.J.Leusen, W.T.M.Mooij, S.L.Price, B.Schweizer, M.U.Schmidt, B.P.van Eijck, P.Verwer, D.E.Williams, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, 56 697-714, DOI: 10.1107/S0108768100004584

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

W. D. S. Motherwell, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, B56 466-473, DOI: 10.1107/S0108768100001683

The assignment and validation of metal oxidation states in the Cambridge Structural Database.

G. P. Shields, P. R. Raithby, F. H. Allen, W. D. S. Motherwell, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, B56 455-465, DOI: 10.1107/S0108768199015086

Structure correlation study of four-coordinate copper(I) and (II) complexes.

F. H. Allen, W. D. S. Motherwell, G. P. Shields, P. R. Raithby, Acta Crystallogr. ,Sect. B:Struct. Sci., 2000, B56 444-454, DOI: 10.1107/S0108768199016870