A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking.
Pedro J. BallesterJohn B. O. MitchellPublished in: Bioinform. (2010)
Keyphrases
- predicting protein
- hiv protease
- protein protein interactions
- protein protein
- drug design
- high throughput
- protein interaction
- computational methods
- biological processes
- biological data
- protein function
- biomedical literature
- network topology
- gene ontology
- high precision
- network analysis
- biological networks
- genomic data
- protein complexes
- pairwise
- functional modules
- protein interaction networks
- genome wide
- systems biology
- microarray
- secondary structure
- computational approaches
- structural properties
- fine grained
- coarse grained
- virtual screening
- data integration