Virtual Screening Using Combinatorial Cyclic Peptide Libraries Reveals Protein Interfaces Readily Targetable by Cyclic Peptides.
Fergal J. DuffyDarragh O'DonovanMarc DevocelleNiamh MoranDavid J. O'ConnellDenis C. ShieldsPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- mass spectrometry
- tandem mass spectra
- amino acids
- virtual screening
- drug discovery
- mass spectra
- ms ms
- high throughput
- tandem mass spectrometry
- mass spectrometry data
- protein sequences
- tandem mass
- secondary structure
- early stage
- similarity search
- binding sites
- protein function
- similarity searching
- chemical compounds
- protein protein interactions
- protein structure
- multi dimensional
- association rules
- multimedia