BALI: Automatic Assignment of Bond and Atom Types for Protein Ligands in the Brookhaven Protein Databank.
Manfred HendlichFriedrich RippmannGerhard BarnickelPublished in: J. Chem. Inf. Comput. Sci. (1997)
Keyphrases
- drug design
- protein structure
- amino acids
- virtual screening
- protein sequences
- subcellular localization
- protein structure prediction
- mass spectrometry data
- protein folding
- protein interaction data
- protein interaction networks
- drug discovery
- sequence alignment
- protein protein interactions
- contact map
- molecular dynamics
- protein function
- molecular structures
- cellular processes
- mass spectra
- chemical compounds
- sequence analysis
- data mining
- multiple sequence alignment
- high throughput