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Besides, energy dissociation component analysis revealed the contribution of G Bind Coulomb (Coulomb energy) and G Bind vdW (Van der Waals interaction energy) to the stability of the complex while G Bind Covalent (Covalent energy) and G Bind Solv GB (Generalized Born electrostatic solvation energy) tends to separate the interacting receptor and ligand in both the docked complexes and during MD simulation (Table S3, Fig

Compounded drugs are not directly approved by the FDA in the same way as commercial drugs