Protocol for iterative optimization of modified peptides bound to protein targets.
Rodrigo OchoaPilar CossioThomas FoxPublished in: J. Comput. Aided Mol. Des. (2022)
Keyphrases
- iterative optimization
- amino acids
- mass spectrometry data
- tandem mass spectra
- mass spectrometry
- mass spectra
- trust region
- high throughput
- ms ms
- lower bound
- tandem mass spectrometry
- upper bound
- physicochemical properties
- protein function
- protein sequences
- protein structure
- worst case
- amino acid sequences
- drug discovery
- support vector