Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives
G. Kirishnamaline, J. Daisy Magdaline, T. Chithambarathanu, D. Aruldhas, A. Ronaldo Anuf
Topics & Concepts
Natural bond orbitalChemistryThioureaComputational chemistryIntramolecular forceMoleculeHOMO/LUMODensity functional theoryHyperpolarizabilityDocking (animal)Molecular dynamicsStereochemistryOrganic chemistryPolarizabilityMedicineNursingComputational Drug Discovery MethodsSynthesis and biological activityNonlinear Optical Materials Research