Ligand-Protein Cross-Docking with Water Molecules.
Ramasamy ThilagavathiRicardo L. ManceraPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- virtual screening
- drug discovery
- similarity searching
- drug design
- chemical compounds
- high throughput
- scoring function
- binding sites
- molecular structures
- similarity search
- water supply
- protein protein
- water resources
- protein structure prediction
- water quality
- computational methods
- complex networks
- augmented reality
- data mining