Oxygen binding isotope effects of triazole-based HIV-1 reverse transcriptase inhibitors indicate the actual binding site
Keywords: HIV-1، ترانسپرتایز معکوس; HIV-1 reverse transcriptase; Binding isotope effects; QM/MM; FEP; Free energy of binding; Interaction energy; Potential energy; NNRTIs; HAART; Triazole-based RTIs;