A novel imidazole-based azo molecule: synthesis, characterization, quantum chemical calculations, molecular docking, molecular dynamics simulations and ADMET properties
Çiğdem Karabacak Atay, Ömer Dilek, Tahir Tilki, Bülent Dede
Topics & Concepts
ChemistryMoleculeMolecular dynamicsComputational chemistryHOMO/LUMOMolecular geometryCarbon-13 NMRCombinatorial chemistryStereochemistryOrganic chemistryNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity