A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
By H. Köster, T. Craan, S. Brass, C. Herhaus, Matthias Zentgraf, L. Neumann, A. Heine, Gerhard Klebe. 2011
99 citations recorded by the source corpus.
Subfields: Molecular Biology, Organic Chemistry, Toxicology, Computational Chemistry & Drug Discovery
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Molecular Biology
- Zoe Cournia
- C. K. Surratt
- Jeffry D. Madura
- George M. Spyrou
- Michael J. Wasko
- Kendy A. Pellegrene
- D. Vassilatis
- Evanthia Lionta
In Organic Chemistry
- Zoe Cournia
- C. K. Surratt
- Jeffry D. Madura
- George M. Spyrou
- Michael J. Wasko
- Kendy A. Pellegrene
- D. Vassilatis
- Evanthia Lionta
In Computational Chemistry & Drug Discovery
Citations in the corpus
- A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “Recently, the usefulness of this rule of three has been a subject of debate (30, 31).”
- Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances (2014, background): “However, in a recent study by Klebe and coworkers, it was shown that only four of their 11 discovered fragments were compliant with the Rule of Three [48].”