Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach.
Reem Y. AljindanAbeer M. Al-SubaieAhoud I. Al-OhaliD. Thirumal KumarC. George Priya DossBalu KamarajPublished in: Comput. Biol. Medicine (2021)
Keyphrases
- drug discovery
- signaling pathways
- molecular structures
- influenza virus
- virtual screening
- drug design
- molecular dynamics
- hiv protease
- protein interaction
- protein structure prediction
- protein protein interactions
- protein protein
- mass spectrometry
- sequence analysis
- computational methods
- subcellular localization
- three dimensional
- binding sites
- interaction networks
- protein function prediction
- molecular dynamics simulations
- protein function
- systems biology
- chemical reaction
- chemical reactions
- amino acids
- protein structure
- user interaction
- neural network