From: Molecular docking assisted exploration on solubilization of poorly soluble drug remdesivir in sulfobutyl ether-tycyclodextrin
Structure
Energy(a.u.)
ΔE(a.u.)
ΔE(kcal)
RDV
-2322.53
0
Zwitterion_A
-2322.5
0.030717
19.27532
Zwitterion_B
-2322.49
0.035028
21.98072
Zwitterion_C
-2322.46
0.070013
43.93398