Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility.
Kenneth W. BorrelliBenjamin P. CossinsVictor GuallarPublished in: J. Comput. Chem. (2010)
Keyphrases
- drug design
- virtual screening
- protein protein
- drug discovery
- protein protein interactions
- protein structure
- coarse to fine
- protein sequences
- protein structure prediction
- subcellular localization
- neural network
- molecular structures
- mass spectrometry
- computational methods
- hierarchical clustering
- high throughput
- hierarchical structure