A crystallographic perspective on sharing data and knowledge.

Crystal structure refinement with SHELXL. Acta Crystallogr C Struct Chem (2015) 158.65

The Cambridge Structural Database. Acta Crystallogr B Struct Sci Cryst Eng Mater (2016) 34.37

Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiers. J Cheminform (2015) 0.89

The Protein Data Bank. Nucleic Acids Res (2000) 187.10

PHENIX: a comprehensive Python-based system for macromolecular structure solution. Acta Crystallogr D Biol Crystallogr (2010) 108.52

Retrieval of crystallographically-derived molecular geometry information. J Chem Inf Comput Sci (2004) 74.81

New software for searching the Cambridge Structural Database and visualizing crystal structures. Acta Crystallogr B (2002) 16.68

New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design. Acta Crystallogr B (2002) 5.34

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J Mol Biol (1995) 4.95

Crystallography Open Database - an open-access collection of crystal structures. J Appl Crystallogr (2009) 3.45

CRYSTMET: a database of the structures and powder patterns of metals and intermetallics. Acta Crystallogr B (2002) 2.76

De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallography. J Am Chem Soc (2013) 2.68

Deducing chemical structure from crystallographically determined atomic coordinates. Acta Crystallogr B (2011) 2.63

Science priorities. Who will pay for public access to research data? Science (2013) 2.58

WebCSD: the online portal to the Cambridge Structural Database. J Appl Crystallogr (2010) 2.06

Implementing an X-ray validation pipeline for the Protein Data Bank. Acta Crystallogr D Biol Crystallogr (2012) 1.79

Editorial. Acta Crystallogr Sect E Struct Rep Online (2009) 1.75

SuperStar: a knowledge-based approach for identifying interaction sites in proteins. J Mol Biol (1999) 1.63

Predicting crystal structures of organic compounds. Chem Soc Rev (2013) 1.58

Handling ligands with Coot. Acta Crystallogr D Biol Crystallogr (2012) 1.56

Experiences with archived raw diffraction images data: capturing cisplatin after chemical conversion of carboplatin in high salt conditions for a protein crystal. J Synchrotron Radiat (2013) 1.51

Models for open innovation in the pharmaceutical industry. Drug Discov Today (2013) 1.48

Sustainable digital infrastructure. Although databases and other online resources have become a central tool for biological research, their long-term support and maintenance is far from secure. EMBO Rep (2010) 1.42

Knowledge-based model of hydrogen-bonding propensity in organic crystals. Acta Crystallogr B (2007) 1.11

Data deposition: Fees could damage public data archives. Nature (2013) 1.11

Small-molecule 3D structure prediction using open crystallography data. J Chem Inf Model (2013) 1.10

Electron crystallography of organic materials. Ultramicroscopy (2006) 1.09

In support of the BMRB. Nat Struct Mol Biol (2012) 1.09

The druggable genome. Nat Rev Drug Discov (2002) 13.61

Ligand efficiency: a useful metric for lead selection. Drug Discov Today (2004) 6.60

Atomic interactions and profile of small molecules disrupting protein-protein interfaces: the TIMBAL database. Chem Biol Drug Des (2009) 1.64

Data-driven high-throughput prediction of the 3-D structure of small molecules: review and progress. A response from the Cambridge Crystallographic Data Centre. J Chem Inf Model (2011) 1.45

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures. J Comput Aided Mol Des (2012) 1.25

Heteroaromatic rings of the future. J Med Chem (2009) 1.18

IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding. Bioorg Med Chem Lett (2008) 0.87

Proteases as drug targets. Biochem Soc Symp (2003) 0.83

The hydrogen bond environments of 1H-tetrazole and tetrazolate rings: the structural basis for tetrazole-carboxylic acid bioisosterism. J Chem Inf Model (2012) 0.78

Structural bioinformatics in drug discovery. Methods Biochem Anal (2003) 0.77

Capturing neon - the first experimental structure of neon trapped within a metal-organic environment. Chem Commun (Camb) (2016) 0.75

Institutional profile: Crystal structure information in drug discovery and development: current perspectives and new possibilities from the Cambridge Crystallographic Data Centre. Future Med Chem (2010) 0.75