Force-field-based minimizations of protein-ligand complexes in the blink of an eye.
Lennart HeinzerlingMatthias RareyPublished in: J. Cheminformatics (2013)
Keyphrases
- force field
- protein complexes
- protein protein
- drug design
- virtual screening
- protein protein interactions
- eye tracking
- eye localization
- active contour model
- active contours
- drug discovery
- deformable models
- protein interaction networks
- high throughput
- eye movements
- protein structure prediction
- protein sequences
- protein structure
- information theory
- protein interaction
- gradient vector flow
- functional modules
- computational methods
- object boundaries
- binding sites
- amino acids
- pupil size
- image gradient
- multi view
- biological data
- microarray