SARS-CoV-2(40) COVID-19(35) molecular dynamics(24) docking(23) inhibitor(22) enzyme(22) Compound(21) Interaction(20) molecular docking(19) Protein(18) protease(18) acute respiratory syndrome(17) the SARS-CoV-2(17) Molecular dynamics simulation(17) coronavirus(17) Spike protein(16) molecular(16) Virtual screening(15) in silico(15) ACE2(14) binding(13) approach(13) angiotensin(12) residue(12) drug(12) SARS-CoV-2.(12) pandemic(11) Antiviral(11) receptor(11) binding site(11)