| Structural insights into the anti-cancer activity of quercetin on G-tetrad, mixed G-tetrad, and G-quadruplex DNA using quantum chemical and molecular dynamics simulations S Vinnarasi, R Radhika, S Vijayakumar, R Shankar Journal of Biomolecular Structure and Dynamics, 2019 | 40 | 2019 |
| Reconnoitring the nature of interaction and effect of electric field on Pd/Pt/Ni decorated 5-8-5/55–77 defected graphene sheet for hydrogen storage R Akilan, S Vinnarasi, S Mohanapriya, R Shankar International Journal of Hydrogen Energy 45 (1), 744-763, 2020 | 22 | 2020 |
| Exploring the nature of interaction and stability between DNA/RNA base pairs and defective & defect-dopant graphene sheets. A possible insights on DNA/RNA sequencing V Saravanan, A Rajamani, S Vasudevan, S Ramasamy International journal of biological macromolecules 146, 387-404, 2020 | 16 | 2020 |
| Modeling of Si–B–N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li+ Ion and CO2 Gas Molecule A Rajamani, V Saravanan, S Vijayakumar, R Shankar ACS omega 4 (9), 13808-13823, 2019 | 15 | 2019 |
| Adsorption of H2 and CO2 gas molecules on Li/Na decorated Si2BN nano-sheet for energy harvesting applications–A density functional study R Akilan, D Ravichandran, S Vinnarasi, R Shankar Materials Letters 279, 128487, 2020 | 13 | 2020 |
| Exploring two-dimensional graphene and boron-nitride as potential nanocarriers for cytarabine and clofarabine anti-cancer drugs V Saravanan, A Rajamani, M Subramani, S Ramasamy Computational Biology and Chemistry 88, 107334, 2020 | 12 | 2020 |
| Kinetics and degradation of camphene with OH radicals and its subsequent fate under the atmospheric O2 and NO radicals-A theoretical study M Subramani, V Saravanan, J Theerthagiri, V Subramaniam, ... Chemosphere 267, 129250, 2021 | 9 | 2021 |
| Tuning the reactivity of tri-s-triazine, trinitro-tri-s-triazine and ternary tri-s-triazine graphitic C3N4 quantum dots through H-functionalized and B-doped complexes: A … D Ravichandran, R Akilan, S Vinnarasi, R Shankar, S Manickam Chemosphere 272, 129901, 2021 | 8 | 2021 |
| Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study R Akilan, S Vinnarasi, S Mohanapriya, R Shankar Structural Chemistry 31, 2413-2434, 2020 | 7 | 2020 |
| Interaction of (G4)2 and (X4)2 DNA quadruplexes with Cu+, Ag+ and Au+ metal cations: a quantum chemical calculation on structural, energetic and electronic … V Saravanan, A Rajamani, V Subramaniam, S Ramasamy Structural Chemistry 31 (1), 465-484, 2020 | 5 | 2020 |
| Epigenetically modified nucleobases (5hmc, 5fc, and 5caC) interaction with boron and nitrogen doped porous graphene (B/N-pGr) as promising materials for biosensing application … V Saravanan, A Rajamani, S Ramasamy, A Baazeem, IR Upadhyaya Environmental Research 197, 111133, 2021 | 4 | 2021 |
| Theoretical insights on the development of a 55–77 graphene sheet by embedding Agn= 1-4 and Pdn= 1-4 metal nanoclusters for efficient CO2 capture M Subramani, V Saravanan, A Muralidharan, R Durai, S Ramasamy Journal of Molecular Graphics and Modelling 124, 108573, 2023 | 1 | 2023 |
| Uncovering allostery and regulation in SORCIN through molecular dynamics simulations V Saravanan, I Ahammed, A Bhattacharya, S Bhattacharya Journal of Biomolecular Structure and Dynamics 42 (4), 1812-1825, 2024 | | 2024 |
Akilan RajamaniPostdoctoral Fellow, Universite de Reims champagne-ardenne, France在 univ-reims.fr 的电子邮件经过验证
Akilan RajamaniPostdoctoral Fellow, Universite de Reims champagne-ardenne, France在 univ-reims.fr 的电子邮件经过验证
Shankar RBharathiar University, Tamilnadu, India在 buc.edu.in 的电子邮件经过验证