Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243.
Flavio CostaRiccardo OcelloCarlo GuardianiAlberto GiacomelloMatteo MasettiPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- network analysis
- social network analysis
- link prediction
- information networks
- complex networks
- community detection
- network structure
- text mining
- action selection mechanism
- centrality measures
- graph clustering
- patient specific
- community structure
- dynamic networks
- bipartite graph
- left ventricle
- real world networks
- natural language
- artificial intelligence
- community detection algorithms
- databases