| 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 |
| 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 | 2 | 2023 |
| 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 | 1 | 2024 |
| 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 | 1 | 2023 |
| Dual Anti-Inflammatory and Anticancer Activity of Novel 1, 5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study P Deivasigamani, SME Rubavathy, N Jayasankar, V Saravanan, ... Biomedicines 12 (4), 788, 2024 | | 2024 |
| Exploration of novel hydroxamate zinc binding group inhibitors against HDAC-1-3 enzymes by AI-based virtual screening: atomistic insights from steered molecular dynamics SM Esther Rubavathy, V Rajapandian, M Prakash Journal of Biomolecular Structure and Dynamics, 1-12, 2024 | | 2024 |
| 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 |
