Fathima Rizwana B

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 et al. · Computational Biology and Chemistry · 2018 · 263 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach

Christina Susan Abraham, S. Muthu, Johanan Christian Prasana et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019 · 133 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Spectroscopic (FT-IR, FT-Raman) investigation, topology (ESP, ELF, LOL) analyses, charge transfer excitation and molecular docking (dengue, HCV) studies on ribavirin

Fathima Rizwana B, S. Muthu, Johanan Christian Prasana et al. · Chemical Data Collections · 2018 · 132 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +12

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, Johanan Christian Prasana, S. Muthu et al. · Journal of Molecular Structure · 2018 · 123 citations

Natural Sciences, Chemistry, Physics +17

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 et al. · Computational Biology and Chemistry · 2018 · 48 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17