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Table 5 The lowest configuration energy of different neutral states

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 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
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