Ultrafast protein structure-based virtual screening with Panther.
Sanna P. NiinivehmasKari SalokasSakari LättiHannu RaunioOlli T. PentikäinenPublished in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
- protein structure
- virtual screening
- chemical structures
- drug discovery
- similarity searching
- molecular biology
- protein sequences
- binding sites
- high throughput
- scoring function
- secondary structure
- protein structure prediction
- nuclear magnetic resonance
- amino acids
- protein tertiary structure
- chemical compounds
- graph databases
- protein structural
- metric space
- distance function
- nearest neighbor
- social networks