Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Data Set.
Karina B. SantosIsabella A. GuedesAna L. M. KarlLaurent Emmanuel DardennePublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- highly flexible
- data sets
- amino acids
- tandem mass spectra
- mass spectrometry
- ligand docking
- mass spectra
- nonrigid image registration
- protein sequences
- ms ms
- protein classification
- protein structure prediction
- protein structure
- real world
- tandem mass spectrometry
- mass spectrometry data
- amino acid sequences
- computer programs
- protein function
- high throughput
- search algorithm
- protein protein interactions
- mhc class ii
- molecular dynamics
- multiple sequence alignment
- query processing
- protein interaction
- sequence alignment
- high dimensional data
- database