| An experimental charge density study of aliphatic dicarboxylic acids RS Gopalan, P Kumaradhas, GU Kulkarni, CNR Rao Journal of Molecular Structure 521 (1-3), 97-106, 2000 | 74 | 2000 |
| Charge Density Study of the Polymorphs of p-Nitrophenol GU Kulkarni, P Kumaradhas, CNR Rao Chemistry of materials 10 (11), 3498-3505, 1998 | 74 | 1998 |
| Synthesis and characterization of novel bioactive azo compounds fused with benzothiazole and their versatile biological applications S Prakash, G Somiya, N Elavarasan, K Subashini, S Kanaga, ... Journal of Molecular Structure 1224, 129016, 2021 | 67 | 2021 |
| Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L‐tartrate: a density functional theoretical approach S Vidya, C Ravikumar, I Hubert Joe, P Kumaradhas, B Devipriya, K Raju Journal of Raman Spectroscopy 42 (4), 676-684, 2011 | 61 | 2011 |
| Design and molecular dynamic investigations of 7, 8-dihydroxyflavone derivatives as potential neuroprotective agents against alpha-synuclein T Mohankumar, V Chandramohan, HS Lalithamba, RL Jayaraj, ... Scientific reports 10 (1), 599, 2020 | 55 | 2020 |
| Synthesis, antimalarial activity and cytotoxicity of substituted 3, 6-diphenyl-[1, 2, 4, 5] tetraoxanes N Kumar, SI Khan, G Rajalakshmi, P Kumaradhas, DS Rawat Bioorganic & medicinal chemistry 17 (15), 5632-5638, 2009 | 55 | 2009 |
| Topological electron density analysis and electrostatic properties of aspirin: an experimental and theoretical study DS Arputharaj, VR Hathwar, TN Guru Row, P Kumaradhas Crystal growth & design 12 (9), 4357-4366, 2012 | 49 | 2012 |
| Bond charge depletion, bond strength and the impact sensitivity of high energetic 1, 3, 5-triamino 2, 4, 6-trinitrobenzene (TATB) molecule: A theoretical charge density analysis AD Stephen, P Srinivasan, P Kumaradhas Computational and Theoretical Chemistry 967 (2-3), 250-256, 2011 | 46 | 2011 |
| Isolation of hesperetin-A flavonoid from Cordia sebestena flower extract through antioxidant assay guided method and its antibacterial, anticancer effect on cervical cancer via … S Prakash, N Elavarasan, K Subashini, S Kanaga, R Dhandapani, ... Journal of Molecular Structure 1207, 127751, 2020 | 40 | 2020 |
| Purification of fucoxanthin from Sargassum wightii Greville and understanding the inhibition of angiotensin 1-converting enzyme: An in vitro and in silico studies V Raji, C Loganathan, G Sadhasivam, S Kandasamy, K Poomani, ... International journal of biological macromolecules 148, 696-703, 2020 | 40 | 2020 |
| Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density … G Rajalakshmi, VR Hathwar, P Kumaradhas Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2014 | 37 | 2014 |
| A combined molecular docking and charge density analysis is a new approach for medicinal research to understand drug–receptor interaction: Curcumin–AChE model AR Parameswari, G Rajalakshmi, P Kumaradhas Chemico-biological interactions 225, 21-31, 2015 | 36 | 2015 |
| Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study G Rajalakshmi, VR Hathwar, P Kumaradhas Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2014 | 36 | 2014 |
| Molecular flexibility and the electrostatic moments of curcumin and its derivatives in the active site of p300: a theoretical charge density study B Devipriya, P Kumaradhas Chemico-biological interactions 204 (3), 153-165, 2013 | 36 | 2013 |
| Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density … K Saravanan, C Kalaiarasi, P Kumaradhas Journal of Biomolecular Structure and Dynamics 35 (16), 3627-3647, 2017 | 31 | 2017 |
| Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy … I Ancy, M Sivanandam, P Kumaradhas Journal of Biomolecular Structure and Dynamics 39 (15), 5368-5375, 2021 | 28 | 2021 |
| Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study C Kalaiarasi, MS Pavan, P Kumaradhas Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 28 | 2016 |
| Charge Density and Electrostatic Potential Study of 16α,17β-Estriol and the Binding of Estrogen Molecules to the Estrogen Receptors ERα and ERβ EA Zhurova, VV Zhurov, P Kumaradhas, S Cenedese, AA Pinkerton The Journal of Physical Chemistry B 120 (34), 8882-8891, 2016 | 28 | 2016 |
| Experimental and theoretical investigations on the inhibition of mild steel corrosion in the ground water medium using newly synthesised bipodal and tripodal imidazole derivatives D Gopi, ESM Sherif, M Surendiran, M Jothi, P Kumaradhas, L Kavitha Materials Chemistry and Physics 147 (3), 572-582, 2014 | 28 | 2014 |
| Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis K Saravanan, M Sivanandam, G Hunday, L Mathiyalagan, P Kumaradhas Journal of Biomolecular Structure and Dynamics 37 (9), 2339-2354, 2019 | 24 | 2019 |
Sivanandam MAssistant Professor, KPR Institute of Engineering and Technology, Coimbatore, Tamil Nadu, India在 kpriet.ac.in 的电子邮件经过验证
