Understanding the potency of malarial ligand (D44) in plasmodium FKBP35 and modelled halogen atom (Br, Cl, F) functional groups

P. Deepa, D. Thirumeignanam

2020Journal of Molecular Graphics and Modelling12 citationsDOI

Topics & Concepts

Ligand (biochemistry)ChemistryNatural bond orbitalHydrogen bondStereochemistryCrystallographyComputational chemistryDensity functional theoryMoleculeOrganic chemistryReceptorBiochemistryComputational Drug Discovery MethodsBioactive Compounds and Antitumor AgentsChemical Reaction Mechanisms