Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations
Trung Hai Nguyen, Nguyễn Minh Tâm, Mai Van Tuan, Peng Zhan, Van V. Vu, Dương Tuấn Quang, Sơn Tùng Ngô
Topics & Concepts
ChemistrySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)2019-20 coronavirus outbreakPerturbation (astronomy)ProteaseComputational biologyVirologyEnzymeBiochemistryInfectious disease (medical specialty)PhysicsQuantum mechanicsBiologyOutbreakDiseaseMedicinePathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchMachine Learning in Bioinformatics