Solvent effects on the structural, spectroscopic, electronic properties, NCI-RDG analysis, molecular docking and molecular dynamics studies of 1-benzyl-indole-3-carbinol
Stève–Jonathan Koyambo-Konzapa, R. Premkumar, George Amolo, Mama Nsangou
Topics & Concepts
Natural bond orbitalMolecular dynamicsChemistryComputational chemistryMoleculeSolvationDocking (animal)Indole testvan der Waals forceMolecular modelMolecular orbitalDensity functional theoryStereochemistryOrganic chemistryMedicineNursingFree Radicals and AntioxidantsNonlinear Optical Materials ResearchMetal complexes synthesis and properties