SARS-CoV-2(18) COVID-19(15) molecular docking(9) compounds(9) molecular dynamics(7) radius of gyration(6) protease(6) docking(6) Compound(6) fluctuation(6) SARS-CoV-2 virus(6) the SARS-CoV-2 virus(6) Structure(5) evaluated(5) ZINC database(5) RdRP(5) inhibitor(5) evaluate(5) binding affinity(5) approaches(5) Molecular simulation(4) dimer(4) Molecular dynamics simulation(4) machine(4) machine learning(4) NMR(3) Novel antiviral compound(3) His41(3) spike-ACE2(3) 3CL(pro)(3)