Including ligand-induced protein flexibility into protein tunnel prediction.
Laura J. KingsleyMarkus A. LillPublished in: J. Comput. Chem. (2014)
Keyphrases
- drug design
- subcellular localization
- contact map
- protein structure prediction
- protein structure
- protein protein
- virtual screening
- protein secondary structure
- predicting protein
- protein sequences
- protein interaction
- amino acids
- protein protein interactions
- drug discovery
- protein tertiary structure
- protein folding
- contact maps
- experimentally determined
- protein homology
- protein interaction data
- prediction accuracy
- molecular dynamics
- mass spectrometry data
- high throughput
- physico chemical
- mass spectrometry
- sequence alignment
- gene prediction
- high speed
- neural network
- secondary structure
- prediction error
- prediction model
- remote homology detection