Structure-Based Strategies for Drug Design and Discovery

By Irwin D. Kuntz. 1992

How researchers see this paper

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

1. Sunghwan Kim
2. Evan E. Bolton
3. Stephen H. Bryant
4. Lianyi Han
5. Gerhard Klebe
6. Jie Chen
7. Alexandre M. J. J. Bonvin
8. Sérgio Filipe Sousa

Citations in the corpus

• Pushing the limits of what is achievable in protein–DNA docking: benchmarking HADDOCK’s performance (2010, methodology): “Docking has become a valuable tool in drug design, molecular interaction studies, NMR and X-ray structural studies, biochemical experiment design and validation (4–6).”
• Virtual screening of chemical libraries (2004, methodology): “Computational modelling has been used extensively in these effort”
• A fast flexible docking method using an incremental construction algorithm. (1996, methodology): “Leach & Kuntz ( 1992 ) use a backtracking algorithm in their docking approach .”
• Discovering novel ligands for macromolecules using X-ray crystallographic screening (2000, methodology): “The five potential leads included three compound classes: 2-aminopyridine (1 and 2), 5-aminoindole (4), and 2-aminoquinoline (3 and 5).”