B. FathimaRizwana

Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV–Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline

Christina Susan Abraham, S. Muthu, J. Prasana, 2018 .

Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug

S. Muthu, B. FathimaRizwana, Johanan Christian Prasana, 2019, Comput. Biol. Chem..

Wavefunction analysis, charge transfer and molecular docking studies on famciclovir and entecavir: Potential anti-viral drugs

S. Muthu, J. Prasana, C. Abraham, 2020 .

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

B. FathimaRizwana, Johanan Christian Prasana, S. Muthu, 2020, Comput. Biol. Chem..

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

B. FathimaRizwana, Johanan Christian Prasana, Christina Susan Abraham, 2018, Comput. Biol. Chem..

Quantum mechanical, spectroscopic and molecular docking studies of N-[4-cyano-3-(trifluoromethyl) phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

S. Muthu, H. Rajagopal, B. Chandralekha, 2019, Chemical Data Collections.