Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug. - Christina Susan Abraham; S. Muthu; Johanan Christian Prasana; Sanja J. Armakovic; Stevan Armakovic; Fathima Rizwana B.; Ben Geoffrey A. S. (Comput. Biol. Chem., 2018)

Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug. - Fathima Rizwana B.; Johanan Christian Prasana; S. Muthu; Christina Susan Abraham (Comput. Biol. Chem., 2019)

Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent. - P. Manjusha; Johanan Christian Prasana; S. Muthu; Fathima Rizwana B. (Comput. Biol. Chem., 2020)