The Cambridge Structural Database: a quarter of a million crystal structures and rising.

By F. Allen. 2002

9,100 citations recorded by the source corpus.

Subfields: Materials Chemistry, Physical and Theoretical Chemistry, Spectroscopy

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Paul D. Adams
2. Randy J. Read
3. Nigel W. Moriarty
4. Pavel V. Afonine
5. Jane S. Richardson
6. David C Richardson
7. J. Headd
8. Torsten Schwede

In Physical and Theoretical Chemistry

1. G. Sheldrick
2. A. Spek
3. P. Müller
4. Suzanna C. Ward
5. Peter A. Wood
6. Gregory A. Ross
7. Randy J. Read
8. Tamer Uyar

In Spectroscopy

1. Paul D. Adams
2. Anastassis Perrakis
3. Torsten Schwede
4. Robbie P. Joosten
5. Christopher J. H. Porter
6. Jane S. Richardson
7. Janet L. Smith
8. W. Charman

Citations in the corpus

• lDDT: a local superposition-free score for comparing protein structures and models using distance difference tests (2013, methodology): “Interatomic distances between pairs of non-bonded atoms in the model are considered clashing if the distance between them is smaller than the sum of their corresponding atomic van der Waals radii (Allen, 2002), within a predefined tolerance threshold (by default 1.5A˚).”
• Crystal engineering of active pharmaceutical ingredients to improve solubility and dissolution rates. (2007, background): “These are derived from examining structure property relationships present in classes of known crystal structures contained in the Cambridge Structural Database (CSD) [88].”
• Strategies to Address Low Drug Solubility in Discovery and Development (2013, background): “In the last example, an unconventional approach to cocrystal design was used where meloxicam-aspirin cocrystals were successfully formed after only consultation of the Cambridge Structural Database and a priori knowledge of a pharmacological interaction between these two compounds [coadministration ”
• MolProbity: More and better reference data for improved all‐atom structure validation (2018, background): “…to quantum-calculated (QM) electron-density contours, small-molecule neutron and x-ray coordinates from the Cambridge Structural Database (CSD 26 ), H difference peaks in 1A˚ protein crystal structures from the Protein Data Bank and, most decisive of all, a combination of H atom…”