Inclusion of Solvation and Entropy in the Knowledge-Based Scoring Function for Protein-Ligand Interactions.
Sheng-You HuangXiaoqin ZouPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- virtual screening
- scoring function
- protein protein
- drug discovery
- structure learning
- similarity searching
- scoring functions
- protein protein interactions
- computational methods
- binding sites
- ranking functions
- high throughput
- drug design
- protein sequences
- interaction networks
- graphical models
- image segmentation
- causal models
- protein interaction
- protein function
- probability distribution