Molecular Docking with Ligand Attached Water Molecules.
Mette Alstrup LieRené ThomsenChristian N. S. PedersenBirgit SchiøttMikael H. ChristensenPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- virtual screening
- drug discovery
- similarity searching
- high throughput
- binding sites
- drug design
- scoring function
- molecular interactions
- water quality
- molecular structures
- molecular structure
- chemical compounds
- ligand docking
- similarity search
- chemical reactions
- water supply
- water resources
- hiv protease
- data mining
- shandong province
- sequence data
- carbon dioxide
- dna sequences
- three dimensional
- water consumption
- data sets