Integrating pharmacophore mapping, virtual screening, density functional theory, molecular simulation towards the discovery of novel apolipoprotein (apoE ε4) inhibitors.
Surabhi JohariAshwani SharmaSubrata SinhaAparoop DasPublished in: Comput. Biol. Chem. (2019)
Keyphrases
- drug discovery
- virtual screening
- binding sites
- chemical structures
- discovery process
- similarity searching
- chemical compounds
- early stage
- data mining
- scientific data
- knowledge discovery
- sequence data
- statistical significance
- scoring function
- dna sequences
- knn
- database
- biological systems
- data mining tools
- bayesian networks