| Metal chelating ability and antioxidant properties of Curcumin-metal complexes–A DFT approach C Pitchumani Violet Mary, S Vijayakumar, R Shankar Journal of Molecular Graphics and Modelling 79, 1-14, 2018 | 123 | 2018 |
| Theoretical insights into the metal chelating and antimicrobial properties of the chalcone based Schiff bases C Pitchumani Violet Mary, R Shankar, S Vijayakumar Molecular Simulation 45 (8), 636–645, 2019 | 25 | 2019 |
| The hazardous effects of the environmental toxic gases on amyloid beta-peptide aggregation: A theoretical perspective V Saranya, C Pitchumani Violet Mary, S Vijayakumar, R Shankar Biophysical Chemistry 263, 106394, 2020 | 19 | 2020 |
| Interaction studies of human prion protein (HuPrP109–111:methionine-lysine-histidine) tripeptide model with transition metal cations C. Pitchumani Violet Mary, R. Shankar, S. Vijayakumar, P. Kolandaivel Journal of Molecular Graphics and Modelling 69, 111-126, 2016 | 5 | 2016 |
| Mechanistic insights into the inhibition mechanism of cysteine cathepsins by chalcone-based inhibitors—a QM cluster model approach C Pitchumani Violet Mary, R Shankar, S Vijayakumar Structural Chemistry 30, 1779–1793, 2019 | 4 | 2019 |
| Theoretical studies on the interaction between the nitrile-based inhibitors and the catalytic triad of Cathepsin K C Pitchumani Violet Mary, R Shankar, S Vijayakumar Journal of Biomolecular Structure and Dynamics 36 (3), 634-655, 2018 | 4 | 2018 |
| Inhibition mechanism of cathepsin B by curcumin molecule: a DFT study C Pitchumani Violet Mary, S Vijayakumar, R Shankar Theoretical Chemistry Accounts 138 (21), 2019 | 3 | 2019 |
| Study of electronic structure, electrical characteristics and transport properties of heteroatoms (N, O & S) based Anthracene molecular Nanowires-A DFT Study J Palaniappan, J Balakrishnan, S Karuppannan, DS Arputharaj, ... Journal of Scientific Research of the Banaras Hindu University 66 (3), 2022 | 1 | 2022 |
| Utilizing Chlorophyll as a Natural Chelating Agent for the Remediation of Heavy Metal Pollution: A Density Functional Theory Study C Pitchumani Violet Mary, S Shalini Packiam Kamala Frontiers in Advanced Materials Research 6 (1), 51-64, 2024 | | 2024 |
| Theoretical investigations of the substituent effect on the opto-electronic properties of the linearly fused napthadithiophene-based molecules Jothi Balakrishnan, Pavithrakumar Muthukumar, David Stephen Arputharaj ... Journal of Computational Chemistry 45 (12), 915-929, 2024 | | 2024 |
| Artificial Intelligence in Physical Science P Periasamy, S Shalini Packiam Kamala, C Pitchumani Violet Mary Marvels of Artificial and Computational Intelligence in Life Sciences, 121-142, 2023 | | 2023 |
| Validation of crystal structure of 2‐acetamidophenyl acetate: an experimental and theoretical study SM Shankar, AD Stephen, CPV Mary, H Madhukar, N Dege, NK Yagcl, ... Journal of Biomolecular Structure and Dynamics 40 (23), 13233-13245, 2021 | | 2021 |
| Molecular Modeling Studies on the Inhibition of Cysteine Proteases and the Metal Chelating Properties of Phytochemical Compounds C Pitchumani Violet Mary, S Vijayakumar Bharathiar University, Coimbatore, 2019 | | 2019 |
Shankar RBharathiar University, Tamilnadu, India在 buc.edu.in 的电子邮件经过验证
