Electronic, spectroscopic, molecular docking and molecular dynamics studies of neutral and zwitterionic forms of 3, 4-dihydroxy-l-phenylalanine: A novel lung cancer drug
Stève–Jonathan Koyambo-Konzapa, R. Premkumar, Ramlina Vamhindi Berthelot Saïd Duvalier, Mbesse Kongbonga Gilbert Yvon, Mama Nsangou, A. Milton Franklin Benial
Topics & Concepts
ChemistryNatural bond orbitalMolecular dynamicsMolecular orbitalComputational chemistryMoleculeHOMO/LUMOSolvationChemical physicsDensity functional theoryOrganic chemistryNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity