SARS-CoV-2(38) binding(26) variant(24) Spike protein(23) molecular dynamics(22) Interaction(20) approach(20) binding affinity(19) the SARS-CoV-2(19) RBD(19) molecular(18) bind(18) Protein(18) Mutation(17) spike(17) virus(15) Molecular dynamics simulation(14) the binding affinity(14) candidate(14) ACE2(14) domain(14) Structure(13) demonstrated(13) electrostatic interaction(12) free energy(12) the spike protein(12) predict(12) affinity(11) complex(11) identify(11)