Mapping the atomic environment of functional groups: turning 3D scatter plots into pseudo-density contours

The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information

1979 • 1,145 citations

Directional preferences of nonbonded atomic contacts with divalent sulfur. 1. Electrophiles and nucleophiles

1977 • 509 citations

Computer-Oriented Approaches to Pattern Recognition

1972 • 367 citations

Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

1984 • 270 citations

Directional preferences of nonbonded atomic contacts with divalent sulfur in terms of its orbital orientations. 2. Sulfur.cntdot..cntdot..cntdot.sulfur interactions and nonspherical shape of sulfur in crystals

1981 • 211 citations

A STEPWISE DISCRIMINANT ANALYSIS PROGRAM USING DENSITY ESTIMATION.

1974 • 173 citations

Computer retrieval and analysis of molecular geometry. 4. Intermolecular interactions

1979 • 151 citations

The geometry of calcium carboxylate interactions in crystalline complexes

1981 • 121 citations

Iodine⋯X(O, N, S) intermolecular contacts: models of thyroid hormoneprotein binding interactions using information from the cambridge crystallographic data files

1984 • 58 citations

The geometry of calcium–water interactions in crystalline hydrates

1980 • 56 citations

Directional Preferences of Approach of Nucleophiles to Sulfonium Ions

1980 • 39 citations

Directional Preferences of Ether O‐Atoms Towards Alkali and Alkaline Earth Cations

1982 • 31 citations

Analysis of the atomic environment of quaternary ammonium groups in crystal structures, using computerized data retrieval and interactive graphics: modeling acetylcholine-receptor interactions

1982 • 27 citations

On the geometry of urea–cation bonding in crystalline urea adducts

1980 • 19 citations