In Search of Non-covalent Inhibitors of SARS-CoV-2 Main Protease: Computer Aided Drug Design Using Docking and Quantum Chemistry.
Alexey V. SulimovDanil C. KutovAnna S. TaschilovaIvan S. IlinNadezhda V. StolpovskayaKhidmet S. ShikhalievVladimir B. SulimovPublished in: Supercomput. Front. Innov. (2020)
Keyphrases
- computer aided
- drug design
- protein protein interactions
- quantitative structure activity
- hiv protease
- drug discovery
- computer aided diagnosis
- computer aided design
- image analysis
- protein structure prediction
- capsule endoscopy
- diagnosis of breast cancer
- natural language processing
- image processing
- computational methods
- machine learning
- early diagnosis
- differential diagnosis
- pattern recognition