Molecular Mechanism-Based Network-like Similarity Graphs Reveal Relationships between Different Types of Receptor Ligands and Structural Changes that Determine Agonistic, Inverse-Agonistic, and Antagonistic Effects.
Preeti IyerDagmar StumpfeJürgen BajorathPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- multiple types
- dynamic networks
- network traffic
- random graphs
- drug discovery
- maximum common subgraph
- highly connected
- network structure
- network model
- graph matching
- real world networks
- fully connected
- community structure
- interaction networks
- network dynamics
- complex networks
- distance function
- community discovery
- drug design
- virtual screening