Research Article
Absorption Characteristics of Combination Medication of Realgar and Indigo Naturalis: In Vitro Transport across MDCK-MDR1 Cells and In Vivo Pharmacokinetics in Mice after Oral Administration
Table 5
Binding energies (in kcal/mol) with BSSE correction values in parentheses of complex [As4Indirubin] relative to separated As4S4 and indirubin (C16H10N2O2) at the HF/6-31G, B3LYP/6-31G, and wB97XD/6-31+G levels of theory.
| ||||||||||||||||||||
The binding energy for the complex was evaluated according to the following definition given in the following equation: = - - + BSSE). |