Publication | Open Access

Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach

Combinatorial ChemistryEngineeringMedicineMolecular Docking ApproachOrganic ChemistryComputational ChemistryChemistryMolecular DockingOrganic AmineMolecular DynamicsBiophysicsMolecular DesignComputational Evaluation