Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase Example.
Kiran MahasenanChenglong LiPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- virtual screening
- drug discovery
- scoring function
- chemical structures
- similarity searching
- binding sites
- high throughput
- protein structure
- amino acids
- similarity search
- early stage
- discovery process
- drug design
- nearest neighbor
- protein folding
- chemical compounds
- sequence alignment
- sequence data
- protein structure prediction
- multimedia databases
- knowledge discovery
- feature selection