Table I.
Predynamics score |
Postdynamics score |
||||||
---|---|---|---|---|---|---|---|
HDP model | Ligand | Gold score | Chem score | ΔG | Gold score | Chem score | ΔG |
HDP_A | Clevudine | 127.17 | 17.90 | −37.59 | 115.81 | 11.73 | −41.71 |
Telbivudine | 130.83 | 17.99 | −36.90 | 126.94 | 13.05 | −37.98 | |
TTP | 115.80 | 16.50 | −26.25 | 131.34 | 24.85 | −40.25 | |
HDP_C | PCVTP | 136.54 | 25.33 | −40.06 | 143.06 | 17.15 | −41.48 |
ETV | 126.45 | 13.78 | −32.79 | 155.20 | 25.95 | −56.67 | |
LBVTP | 135.43 | 23.41 | −44.55 | 163.77 | 21.66 | −41.42 | |
GTP | 149.22 | 15.72 | −30.78 | 168.77 | 20.96 | −38.44 | |
HDP_T | Tenofovir | 114.17 | 10.85 | −35.81 | 146.43 | 24.33 | −39.76 |
Adefovir | 116.76 | 11.70 | −34.98 | 138.63 | 21.98 | −33.53 | |
ATP | 121.86 | 6.97 | −32.60 | 145.68 | 19.22 | −33.17 | |
HDP_G | Emtricitabine | 131.90 | 24.98 | −45.45 | 138.58 | 27.20 | −43.20 |
Lamivudine | 130.32 | 19.06 | −30.35 | 139.30 | 32.78 | −52.89 | |
Torcitabine | 125.51 | 27.63 | −39.35 | 136.58 | 28.16 | −42.16 | |
CTP | 131.33 | 26.26 | −42.55 | 158.55 | 26.94 | −36.96 |