Skip to main content

Table 1 Approximated binding free energies with standard errors of dATP or TNV to HBV-RT/DNA-RNA using Solvated Interaction Energy method (SIE)

From: Modeling the functional state of the reverse transcriptase of hepatitis B virus and its application to probing drug-protein interaction

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