Molecular docking and simulation studies towards exploring antiviral compounds against envelope protein of Japanese encephalitis virus.
Sunil Kumar GuptaSarita SinghAnuradha NischalKamlesh Kumar PantPrahlad Kishore SethPublished in: Netw. Model. Anal. Health Informatics Bioinform. (2013)
Keyphrases
- simulation study
- drug discovery
- virtual screening
- chemical compounds
- drug design
- molecular structures
- subcellular localization
- molecular structure
- hiv protease
- mass spectrometry
- monte carlo
- molecular dynamics
- early stage
- protein structure prediction
- protein protein
- scientific data
- systems biology
- protein protein interactions
- biological systems
- molecular dynamics simulations
- sequence analysis
- chemical reactions
- three dimensional
- amino acids
- experimental data
- fine grained
- interaction networks
- signaling pathways
- protein sequences
- drug resistance