Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential a...

por Saji, Rinnu Sara, Prasana, Johanan Christian, Muthu, S., George, Jacob
Publicado 2021

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

por Rizwana B., Fathima, Muthu, S., Prasana, Johanan Christian, Abraham, Christina Susan, Raja, M.
Publicado 2018

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

por Abraham, Christina Susan, Muthu, S., Prasana, Johanan Christian, Armaković, Stevan, Armaković, Sanja J., Rizwana B., Fathima, Geoffrey, Ben, David R., Host Antony
Publicado 2019