SARS-CoV-2(91) molecular(68) molecular dynamics(48) COVID-19(46) binding(45) Mutation(42) coronavirus(39) Interaction(37) enzyme(34) the SARS-CoV-2(33) ACE2(32) variant(32) Protein(32) Structure(32) Virtual screening(29) docking(29) inhibitor(29) drug(27) Dynamics(27) protease(27) Viral(27) virus(26) acute respiratory syndrome(25) angiotensin(25) Spike protein(25) domain(24) performed(24) Analysis(23) acute respiratory syndrome coronavirus(22) approach(22)