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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

2022Journal of Molecular Structure23 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalMolecular dynamicsMolecular orbitalComputational chemistryMoleculeHOMO/LUMOSolvationChemical physicsDensity functional theoryOrganic chemistryNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity
Electronic, spectroscopic, molecular docking and molecular dynamics studies of neutral and zwitterionic forms of 3, 4-dihydroxy-l-phenylalanine: A novel lung cancer drug | Litcius