| Carbon dioxide adsorption and activation on ionic liquid decorated Au (111) surface: A DFT study S Kamalakannan, KR Maiyelvaganan, K Palanisamy, A Thomas, RB Said, ... Chemosphere 286, 131612, 2022 | 24 | 2022 |
| The molecular mechanism behind the stabilization of insulin by choline and geranate (CAGE) ionic liquids–computational insights into oral insulin drug formulation K Palanisamy, M Prakash Physical Chemistry Chemical Physics 23 (44), 25298-25307, 2021 | 17 | 2021 |
| Tuning diffusion permeability of an anti-retroviral drug, emtricitabine, via multicomponent crystallizations V Palanisamy, P Sanphui, VGSS Jyothi, NR Shastri, G Bolla, ... Crystal Growth & Design 21 (3), 1548-1561, 2021 | 15 | 2021 |
| Antiviral activities of natural compounds and ionic liquids to inhibit the Mpro of SARS-CoV-2: a computational approach K Palanisamy, SME Rubavathy, M Prakash, R Thilagavathi, ... RSC advances 12 (6), 3687-3695, 2022 | 12 | 2022 |
| Design of ascorbic acid eutectic mixtures with sugars to inhibit oxidative degradation V Palanisamy, P Sanphui, K Palanisamy, M Prakash, AK Bansal Frontiers in Chemistry 10, 754269, 2022 | 8 | 2022 |
| Combined DFT and MD simulation studies of protein stability on imidazolium–water (ImH+ W n) clusters with aromatic amino acids K Palanisamy, M Prakash, V Rajapandian New Journal of Chemistry 44 (41), 17912-17923, 2020 | 7 | 2020 |
| Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study S Priyankha, V Rajapandian, K Palanisamy, SM Esther Rubavathy, ... Journal of Biomolecular Structure and Dynamics 42 (5), 2667-2680, 2024 | 4 | 2024 |
| Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening SM Esther Rubavathy, K Palanisamy, S Priyankha, R Thilagavathi, ... Journal of Biomolecular Structure and Dynamics 41 (19), 9492-9502, 2023 | 3 | 2023 |
| Photocatalytic activities of cadmium (II) acetophenone thiosemicarbazone complex: experimental and density functional theory based study A Lathe, K Palanisamy, M Prakash, AM Palve Inorganic Chemistry Communications 155, 111064, 2023 | 3 | 2023 |
| Effect of mixtures of ionic liquids and water on the structure and stability of the insulin dimer: a combined DFT and MD simulation study NG Lakshman, SME Rubavathy, S Priyankha, K Palanisamy, M Prakash New Journal of Chemistry 47 (26), 12152-12163, 2023 | 2 | 2023 |
| Counteractive Effects of Choline Geranate (CAGE) ILs and Ethanol on Insulin’s Stability—A Leap Forward towards Oral Insulin Formulation K Palanisamy, M Prakash Molecules 27 (15), 5031, 2022 | 2 | 2022 |
| In silico screening of potential antiviral inhibitors against SARS-CoV-2 main protease K Palanisamy, KR Maiyelvaganan, S Kamalakannan, R Thilagavathi, ... Molecular Simulation 49 (2), 175-185, 2023 | 1 | 2023 |
| Electrocatalytic Activation and Conversion of CO2 at Solid–Liquid Model Interfaces: Computational Perspectives S Kamalakannan, K Palanisamy, M Prakash, M Hochlaf Photocatalysis for Environmental Remediation and Energy Production: Recent …, 2023 | | 2023 |
| 1st General Meeting Cádiz 1-3 March 2023 M Hochlaf, KR Maiyelvaganan, K Palanisamy, A Thomas, M Prakash | | 2023 |
| The impact of water and ionic liquid on the structure and stability of biomolecules K Palanisamy, SME Rubavathy, M Prakash Elsevier, 2023 | | 2023 |
| The Inhibition Activity of Natural Products Against Host and Viral Proteins Of SARS-Cov-2: Computational Perspective K Palanisamy, SME Rubavathy, S Priyankha, M Prakash ECS Transactions 107 (1), 11397, 2022 | | 2022 |
| DOCKING STUDIES OF COBALT (III)-TERPYRIDYL COMPLEXES WITH DNA V Rajapandian, S Haseena, K Palanisamy, R Indumathy International Journal of Chemical and Molecular Engineering 5 (1), 55-63, 2019 | | 2019 |
