Keyphrases
- drug discovery
- virtual screening
- drug design
- ligand docking
- pharmaceutical industry
- magnetic resonance imaging
- chemical compounds
- clinical trials
- similarity searching
- accurate classification
- drug resistance
- three dimensional
- biological systems
- molecular dynamics
- dna computing
- data mining
- binding sites
- chemical reactions
- van der waals
- gene expression profiles
- scoring function
- health care
- augmented reality
- knowledge discovery
- case study
- information retrieval