In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2 S Beura, P Chetti Journal of Biomolecular Structure and Dynamics 39 (10), 3747-3759, 2021 | 61 | 2021 |
Identification of potential human COX-2 inhibitors using computational modeling and molecular dynamics simulations S Beura, P Chetti Journal of Molecular Structure 1216, 128271, 2020 | 26 | 2020 |
Metagenome-scale community metabolic modelling for understanding the role of gut microbiota in human health S Beura, P Kundu, AK Das, A Ghosh Computers in biology and medicine 149, 105997, 2022 | 13 | 2022 |
Diacetoxy iodobenzene mediated regioselective synthesis and characterization of novel [1, 2, 4] triazolo [4, 3-a] pyrimidines: apoptosis inducer, antiproliferative activities … R Kamal, R Kumar, V Kumar, JK Bhardwaj, P Saraf, A Kumar, K Pandit, ... Journal of Biomolecular Structure and Dynamics 39 (12), 4398-4414, 2021 | 10 | 2021 |
Identification of potential inhibitors for Hematopoietic Prostaglandin D2 synthase: Computational modeling and molecular dynamics simulations S Beura, P Chetti Journal of Molecular Structure 1259, 132704, 2022 | 2 | 2022 |
Machine learning for the advancement of genome-scale metabolic modeling P Kundu, S Beura, S Mondal, AK Das, A Ghosh Biotechnology Advances, 108400, 2024 | | 2024 |
Glutathione as a potent inhibitor against SARS CoV-2 Main protease (Mpro): Molecular docking and dynamics simulations S Beura, C Prabhakar OSF, 2021 | | 2021 |
Identification of Potential Inhibitors against Human COX-2 and SARS CoV-2 using Computational Modeling and Molecular Dynamics Simulations S BEURA | | 2020 |