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Jyothi, KL and Hema, MK and Kumara, K and Guru Row, TN and Lokanath, NK (2023) Structural elucidation of 1:4:4 stochiometric form of thymine – gallic acid cocrystal hydrate: Hirshfeld surface analysis, 3D energy framework, DFT calculations, and SARS CoV-2 docking studies. In: Journal of Molecular Structure, 1280 .
Gurumallappa, Gurumallappa and Jayashankar, J and Hema, MK and Karthik, CS and Suma, D and Kumaraswamy, SR and Lokanath, NK and Mallu, P and Nethaji, M and Lu, N (2022) Enchant O H⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations. In: Journal of Molecular Structure, 1263 . ISSN 00222860
Gurumallappa, Gurumallappa and Arun Renganathan, RR and Hema, MK and Karthik, CS and Rani, S and Nethaji, M and Jayanth, HS and Mallu, P and Lokanath, NK and Ravishankar Rai, V (2021) 4-acetamido-3-nitrobenzoic acid - structural, quantum chemical studies, ADMET and molecular docking studies of SARS-CoV2. In: Journal of Biomolecular Structure and Dynamics .
Iqbal, S and Potharaju, R and Naveen, S and Lokanath, NK and Mohanakrishnan, AK and Gunasekaran, K (2021) Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer�s disease. In: Journal of Biomolecular Structure and Dynamics .
Jyothi, KL and Kumara, K and Hema, MK and Mahesha, . and Gautam, R and Guru Row, TN and Lokanath, NK (2020) Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines. In: Journal of Molecular Structure, 1207 .
Jyothi, KL and Kumara, K and Hema, MK and Mahesha, SS and Gautam, R and Guru Row, TN and Lokanath, NK (2020) Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines. In: Journal of Molecular Structure, 1207 .
Jyothi, KL and Gautam, R and Swain, D and Guru Row, Guru Row and Lokanath, NK (2019) Cocrystals of Gallic Acid with Urea and Propionamide: Supramolecular Structures, Hirshfeld Surface Analysis, and DFT Studies. In: Crystal Research and Technology, 54 (8).
De, Soma and Lokanath, NK and Sridhar, MA and Prasad, Shashidhara J and Venkatesan, K and Bhattacharya, Santanu (1999) Structure of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl 1,10-ditosylate by X-ray crystallography and F-19-NMR spectroscopy. In: Journal of Molecular Structure, 479 (1). 75-81 .
