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Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H2O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studies

Supramolecular AssemblyDft ComputationSupramolecular ArchitectureEngineeringOrganic ChemistryChemistryHeterocycle ChemistrySupramolecular ChemistryMolecule-based MaterialMd SimulationsBiomolecular Engineering