Table 1 Approximated binding free energies with standard errors of dATP or TNV to HBV-RT/DNA-RNA using Solvated Interaction Energy method (SIE)
Category | Variant | dATP, one Mg2+ (Kcal mol-1) | dATP, two Mg2+ (Kcal mol-1) | TFV-DP, two Mg2+ (Kcal mol-1) |
|---|---|---|---|---|
RR | RT5 | −10.43 ± 0.02 | −9.93 ± 0.02 | −8.91 ± 0.01 |
RT3 | −11.51 ± 0.02 | −11.21 ± 0.03 | −9.22 ± 0.01 | |
SR | RT1 | −10.59 ± 0.01 | −9.69 ± 0.02 | −9.56 ± 0.01 |
RT4 | −12.51 ± 0.01 | −9.50 ± 0.02 | −9.05 ± 0.02 | |
RT2 | −10.51 ± 0.02 | −10.59 ± 0.01 | −9.51 ± 0.01 |