New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases.
Carol A. BaxterChristopher W. MurrayBohdan WaszkowyczJin LiRichard A. SykesRichard G. A. BoneTim D. J. PerkinsWilliam WyliePublished in: J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
- multi dimensional
- virtual screening
- chemical structures
- drug discovery
- databases
- similarity searching
- high throughput
- binding sites
- scoring function
- chemical compounds
- database systems
- knowledge discovery
- database
- metric space
- similarity search
- sequence data
- data mining tools
- indexing techniques
- early stage
- multimedia
- metadata
- data sets