SPOT-Ligand: Fast and effective structure-based virtual screening by binding homology search according to ligand and receptor similarity.
Yuedong YangJian ZhanYaoqi ZhouPublished in: J. Comput. Chem. (2016)
Keyphrases
- virtual screening
- drug discovery
- similarity searching
- chemical structures
- similarity search
- search tools
- similarity queries
- binding sites
- early stage
- metric space
- similarity measure
- high throughput
- indexing structure
- keyword search
- biological data
- biological systems
- data mining
- data mining tools
- systems biology
- scoring function
- access methods