Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA protein.
Nabanita SaikiaSanchaita RajkhowaRamesh C. DekaPublished in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
- drug discovery
- drug design
- virtual screening
- protein structure prediction
- protein function prediction
- chemical compounds
- molecular structures
- neural network
- predicting protein
- three dimensional
- protein interaction data
- molecular dynamics
- interaction networks
- similarity searching
- protein protein
- sequence analysis
- protein folding
- protein interaction
- scientific data
- hiv protease
- physico chemical