A computational approach for rational discovery of inhibitors for non-structural protein 1 of SARS-CoV-2.
Rahul SinghVijay Kumar BhardwajPralay DasRituraj PurohitPublished in: Comput. Biol. Medicine (2021)
Keyphrases
- protein protein interactions
- protein functional
- structural similarities
- structural information
- protein structural
- protein structure
- protein sequences
- knowledge discovery
- amino acids
- experimentally determined
- structural analysis
- severe acute respiratory syndrome
- molecular structures
- molecular dynamics
- drug design
- public health
- predicting protein
- contact map
- protein complexes
- sequence similarity
- mass spectra
- scientific discovery
- protein structure prediction
- drug discovery
- discovery process
- tandem mass spectra
- web services