| 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 | 65 | 2020 |
| 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 | 29 | 2019 |
| Binding and stability of indirubin-3-monoxime in the GSK3β enzyme: A molecular dynamics simulation and binding free energy study K Saravanan, G Hunday, P Kumaradhas Journal of Biomolecular Structure and Dynamics 38 (4), 957-974, 2020 | 16 | 2020 |
| Identification of novel flavonoid inhibitor of Catechol-O-Methyltransferase enzyme by molecular screening, quantum mechanics/molecular mechanics and molecular dynamics simulations H Govindasamy, S Magudeeswaran, K Poomani Journal of Biomolecular Structure and Dynamics 38 (18), 5307-5319, 2020 | 12 | 2020 |
| Binding mechanism of naringenin with monoamine oxidase–B enzyme: QM/MM and molecular dynamics perspective H Govindasamy, S Magudeeswaran, S Kandasamy, K Poomani Heliyon 7 (4), 2021 | 11 | 2021 |
| Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study K Saravanan, M Sivanandam, G Hunday, MS Pavan, P Kumaradhas Journal of Molecular Graphics and Modelling 92, 280-295, 2019 | 10 | 2019 |
| AUTHOR CORRECTION: DESIGN AND MOLECULAR DYNAMIC INVESTIGATIONS OF 7, 8-DIHYDROXYFLAVONE DERIVATIVES AS POTENTIAL NEUROPROTECTIVE AGENTS AGAINST ALPHA-SYNUCLEIN (SCIENTIFIC … M THANGAVEL, B RANGASAMY, M DHARMAR, E NAMASIVAYAM, ... SCIENTIFIC REPORTS 10 (1), 5085, 2020 | | 2020 |
| Identification of Novel flavonoid Inhibitor of Catechol-O-Methyltransferase enzyme by Molecular Screening, Quantum mechanics/Molecular mechanics and Molecular dynamics simulations G Hunday, M Sivanandam, P Kumaradhas | | 2019 |
| Investigation of binding mechanism and conformational stability of plant and synthetic molecules with comt and mao b enzymes via qm mm molecular dynamics simulation and binding … G Hunday Salem, 0 | | |
Kumaradhas PoomaniProfessor and Head, Department of Physics, Periyar University在 periyaruniversity.ac.in 的电子邮件经过验证
