Peakr: simulating solid-state NMR spectra of proteins.
Robert SchneiderFlorian OdronitzBjörn HammesfahrMarcel HellkampMartin KollmarPublished in: Bioinform. (2013)
Keyphrases
- solid state
- nmr spectra
- chemical compounds
- nuclear magnetic resonance
- random access
- drug discovery
- flash memory
- structural features
- random forest
- graph data
- graph kernels
- protein structure
- protein sequences
- computational methods
- graph patterns
- amino acids
- database
- biological networks
- protein protein interactions
- data mining