Molecular Docking of Cathepsin L Inhibitors in the Binding Site of Papain.
Mary Pat BeaversMichael C. MyersParag P. ShahJeremy E. PurvisScott L. DiamondBarry S. CoopermanDonna M. HurynAmos B. Smith IIIPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- hiv protease
- binding sites
- protein protein interactions
- protein protein
- virtual screening
- coarse grained
- sequence analysis
- sequence data
- protein interaction
- gene expression
- dna sequences
- fine grained
- motif discovery
- drug discovery
- transcription factors
- computational methods
- gene ontology
- biological processes
- high throughput
- linear support vector machines
- drug resistance
- statistical significance
- functional modules
- protein interaction networks
- protein complexes
- drug design
- sequence alignment
- biological data
- protein function
- similarity searching
- systems biology
- predicting protein
- biomedical literature
- interaction networks
- network analysis
- network topology
- biological networks