| The Cambridge Structural Database: a quarter of a million crystal structures and rising | Acta Crystallographica Section B: Structural Science | 2002 | 9.5K |
| Mercury CSD 2.0– new features for the visualization and investigation of crystal structures | Journal of Applied Crystallography | 2008 | 6.8K |
| The Cambridge Structural Database | Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials | 2016 | 5.2K |
| Mercury: visualization and analysis of crystal structures | Journal of Applied Crystallography | 2006 | 5.1K |
| Development and validation of a genetic algorithm for flexible docking | Journal of Molecular Biology | 1997 | 5K |
| cclib: a library for package-independent computational chemistry algorithms | Journal of Computational Chemistry | 2008 | 3.7K |
| New software for searching the Cambridge Structural Database and visualizing crystal structures | Acta Crystallographica Section B: Structural Science | 2002 | 2.5K |
| Improved protein-ligand docking using GOLD | Proteins: Structure, Function and Bioinformatics | 2003 | 2K |
| : from visualization to analysis, design and prediction | Journal of Applied Crystallography | 2020 | 1.2K |
| Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii | The Journal of Physical Chemistry | 1996 | 1.1K |
| The Cambridge Structural Database in retrospect and prospect | Angewandte Chemie - International Edition | 2014 | 912 |
| The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen | Journal of the American Chemical Society | 1996 | 712 |
| Retrieval of crystallographically-derived molecular geometry information | Journal of Chemical Information and Computer Sciences | 2004 | 699 |
| Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration | Crystal Growth and Design | 2005 | 572 |
| Water clusters in organic molecular crystals | CrystEngComm | 2002 | 564 |
| Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future | Chemistry of Materials | 2017 | 499 |
| CIF applications. XV.enCIFer: a program for viewing, editing and visualizing CIFs | Journal of Applied Crystallography | 2004 | 497 |
| Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry | Acta Crystallographica Section B: Structural Science | 2002 | 442 |
| The packing density in proteins: standard radii and volumes | Journal of Molecular Biology | 1999 | 442 |
| DASH: a program for crystal structure determination from powder diffraction data | Journal of Applied Crystallography | 2006 | 418 |
| Extended motifs from water and chemical functional groups in organic molecular crystals | CrystEngComm | 2003 | 417 |
| Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol | Advanced Materials | 2009 | 404 |
| A new test set for validating predictions of protein-ligand interaction | Proteins: Structure, Function and Bioinformatics | 2002 | 383 |
| Acid–base crystalline complexes and the pKa rule | CrystEngComm | 2012 | 341 |
| Report on the sixth blind test of organic crystal structure prediction methods | Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials | 2016 | 338 |
