Knowledge-based scoring function derived from atomic tessellation of macromolecular structures for prediction of protein-ligand binding affinity.
Majid MassoPublished in: BIBM Workshops (2012)
Keyphrases
- scoring function
- virtual screening
- drug design
- drug discovery
- protein structure prediction
- similarity searching
- scoring functions
- experimentally determined
- contact map
- structure learning
- mhc class ii
- ranking functions
- protein interaction
- protein protein
- amino acids
- bayesian networks
- protein protein interactions
- protein sequences
- hiv protease
- high throughput
- training set