In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking.
Jiao-Long WangLiang LiMei-Bian HuBo WuWen-Xiang FanWei PengDa-Neng WeiChun-Jie WuPublished in: Comput. Biol. Chem. (2019)
Keyphrases
- quantitative structure activity
- drug design
- hiv protease
- protein protein interactions
- biological data
- high throughput
- coarse grained
- protein structure prediction
- molecular biology
- human immunodeficiency virus
- data analysis
- life sciences
- fine grained
- data integration
- systems biology
- statistical methods
- biological networks
- microarray data
- data sources
- knowledge discovery
- drug resistance
- microarray
- computational methods
- drug discovery
- network topology
- databases
- high precision
- data collection
- gene expression data