PUBLICATIONS
1. Vijay, A., Vijay, A., Salvadori, G., Biedermann, F., Rosetti, G., Carloni, P., Mandelli, D., (2025), Binding of adamantane and diamantane derivatives to the Cucurbit[7]uril -based
Metabolite Binding Synthetic Receptor: insights from metadynamics calculations
based on a new force field, (2025) ChemRxiv (Currently under review)
2. Vijay, A., Mukherjee, A. Unraveling the folding-assisted unbinding mechanism of TCF with its binding partner β-catenin (2024) Physical Chemistry Chemical Physics, 26 (25), 17481-17488
3. Vijay, A., Sreyas Adury, V. S., Mukherjee, A. Targeting RdRp of SARS-CoV-2 with De Novo Molecule Generation (2023) ACS Applied Bio Materials, 27 (2), 609-616.
4. Vijay, A., Mukherjee, A. Molecular insights into the stereospecificity of arginine in RNA tetraloop folding (2023), Physical Chemistry Chemical Physics, 25 (16), 11301-11310.
5. Sharma R., Vijay, A., Chattopadhayay, S.,Mukherjee ,A., and Talukdar, P. (2023), Self-assembled anion channel formation by bis(1,3-propanediol)-linked meta-dipropynylbenzene-based small molecules, Chem. Commun., 59, 3602-3605.
6. Sharma R., Vijay, A., Mukherjee, A., and Talukdar, P. (2022), Bis(cholyl)-based chloride channels with oxalamide and hydrazide selectivity filters, Org. Biomol. Chem., 20, 2054-2058.
7. Chowdhury, R., Sai Sreyas Adury, V., Vijay, A., Singh, R. K., and Mukherjee, A. (2021) Atomistic De-novo Inhibitor Generation-Guided Drug Repurposing for SARS-CoV-2 Spike Protein with Free-Energy Validation by Well-Tempered Metadynamics, Chemistry, an Asian journal, 16, 1634-1642.
8. Malla, J. A., Umesh, R. M., Vijay, A., Mukherjee, A., Lahiri, M., and Talukdar, P. (2020) Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel, Chemical Science, 11, 2420-2428.
