Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds FH Allen, O Kennard, DG Watson, L Brammer, AG Orpen, R Taylor Journal of the Chemical Society, Perkin Transactions 2, S1-S19, 1987 | 13641 | 1987 |
Mercury CSD 2.0–new features for the visualization and investigation of crystal structures CF Macrae, IJ Bruno, JA Chisholm, PR Edgington, P McCabe, E Pidcock, ... Journal of Applied Crystallography 41 (2), 466-470, 2008 | 9683 | 2008 |
Development and validation of a genetic algorithm for flexible docking G Jones, P Willett, RC Glen, AR Leach, R Taylor Journal of molecular biology 267 (3), 727-748, 1997 | 7970 | 1997 |
Mercury: visualization and analysis of crystal structures CF Macrae, PR Edgington, P McCabe, E Pidcock, GP Shields, R Taylor, ... Journal of Applied Crystallography 39 (3), 453-457, 2006 | 7819 | 2006 |
New software for searching the Cambridge Structural Database and visualizing crystal structures IJ Bruno, JC Cole, PR Edgington, M Kessler, CF Macrae, P McCabe, ... Acta Crystallographica Section B: Structural Science 58 (3), 389-397, 2002 | 3895 | 2002 |
Crystallographic evidence for the existence of CH. cntdot.. cntdot.. cntdot. O, CH. cntdot.. cntdot.. cntdot. N and CH. cntdot.. cntdot.. cntdot. Cl hydrogen bonds R Taylor, O Kennard Journal of the American Chemical Society 104 (19), 5063-5070, 1982 | 2481 | 1982 |
Intermolecular nonbonded contact distances in organic crystal structures: Comparison with distances expected from van der Waals radii RS Rowland, R Taylor The Journal of Physical Chemistry 100 (18), 7384-7391, 1996 | 1777 | 1996 |
Systematic analysis of structural data as a research technique in organic chemistry FH Allen, O Kennard, R Taylor Accounts of chemical research 16 (5), 146-153, 1983 | 1479 | 1983 |
Organic fluorine hardly ever accepts hydrogen bonds JD Dunitz, R Taylor Chemistry–A European Journal 3 (1), 89-98, 1997 | 1188 | 1997 |
Retrieval of crystallographically-derived molecular geometry information IJ Bruno, JC Cole, M Kessler, J Luo, WDS Motherwell, LH Purkis, ... Journal of chemical information and computer sciences 44 (6), 2133-2144, 2004 | 1019 | 2004 |
Supplement. Tables of bond lengths determined by X-ray and neutron diffraction. Part 2. Organometallic compounds and co-ordination complexes of the d-and f-block metals AG Orpen, L Brammer, FH Allen, O Kennard, DG Watson, R Taylor Journal of the Chemical Society, Dalton Transactions, S1-S83, 1989 | 1014 | 1989 |
The nature and geometry of intermolecular interactions between halogens and oxygen or nitrogen JPM Lommerse, AJ Stone, R Taylor, FH Allen Journal of the American Chemical Society 118 (13), 3108-3116, 1996 | 955 | 1996 |
Hydrogen-bond geometry in organic crystals R Taylor, O Kennard Accounts of chemical research 17 (9), 320-326, 1984 | 837 | 1984 |
The packing density in proteins: standard radii and volumes J Tsai, R Taylor, C Chothia, M Gerstein Journal of molecular biology 290 (1), 253-266, 1999 | 657 | 1999 |
A new test set for validating predictions of protein–ligand interaction JWM Nissink, C Murray, M Hartshorn, ML Verdonk, JC Cole, R Taylor Proteins: Structure, Function, and Bioinformatics 49 (4), 457-471, 2002 | 550 | 2002 |
Modeling water molecules in protein-ligand docking using GOLD ML Verdonk, G Chessari, JC Cole, MJ Hartshorn, CW Murray, ... Journal of medicinal chemistry 48 (20), 6504-6515, 2005 | 486 | 2005 |
The geometry of the N–H⋯ O= C hydrogen bond. 3. Hydrogen-bond distances and angles R Taylor, O Kennard, W Versichel Acta Crystallographica Section B: Structural Science 40 (3), 280-288, 1984 | 463 | 1984 |
Three-dimensional pharmacophore methods in drug discovery AR Leach, VJ Gillet, RA Lewis, R Taylor J. Med. Chem 53 (2), 539-558, 2010 | 445 | 2010 |
Comparing protein–ligand docking programs is difficult JC Cole, CW Murray, JWM Nissink, RD Taylor, R Taylor Proteins: Structure, Function, and Bioinformatics 60 (3), 325-332, 2005 | 436 | 2005 |
Systematic analysis of the probabilities of formation of bimolecular hydrogen-bonded ring motifs in organic crystal structures FH Allen, WDS Motherwell, PR Raithby, GP Shields, R Taylor New Journal of Chemistry 23 (1), 25-34, 1999 | 411 | 1999 |