HIGHLIGHTS
SUMMARY
Of 32 18 of 30 20 of 32 MOLEGRO; (a5) interactions of limonene with the amino_acid residues in the binding_site of 2W9H, generated by CLC; (b5) interactions of limonene with the amino_acid residues in the binding_site 2W9H, generated by MOLEGRO. Due to Due to the the similar similar docking docking score scoreobtained obtainedininboth bothmodels, models,the thegreat greatnumber numberofofinteracintertions with amino_acids from the binding_site, and the low number of Lipinski`s violations actions with amino_acids from the binding_site, and the low number of Lipinski`s violafor clotrimazole, this ligand can becan docked first infirst . . .
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