Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach L Mittal, A Kumari, M Srivastava, M Singh, S Asthana Journal of Biomolecular Structure and Dynamics 39 (10), 3662-3680, 2021 | 184 | 2021 |
Bile acids mediated potential functional interaction between FXR and FATP5 in the regulation of Lipid Metabolism A Kumari, DP Pathak, S Asthana International Journal of Biological Sciences 16 (13), 2308, 2020 | 39 | 2020 |
Interplay among structural stability, plasticity, and energetics determined by conformational attuning of flexible loops in PD-1 L Mittal, M Srivastava, A Kumari, RK Tonk, A Awasthi, S Asthana Journal of Chemical Information and Modeling 61 (1), 358-384, 2021 | 36 | 2021 |
Insights into structural dynamics of allosteric binding sites in HCV RNA-dependent RNA polymerase L Mittal, A Kumari, C Suri, S Bhattacharya, S Asthana Journal of Biomolecular Structure and Dynamics 38 (6), 1612-1625, 2020 | 33 | 2020 |
Potent inhibition of hepatitis E virus release by a cyclic peptide inhibitor of the interaction between viral open reading frame 3 protein and host tumor susceptibility gene 101 S Anang, N Kaushik, S Hingane, A Kumari, J Gupta, S Asthana, Shalimar, ... Journal of Virology 92 (20), e00684-18, 2018 | 25 | 2018 |
Japanese encephalitis virus capsid protein interacts with non-lipidated MAP1LC3 on replication membranes and lipid droplets R Sarkar, KB Sharma, A Kumari, S Asthana, M Kalia bioRxiv, 2020 | 24 | 2020 |
Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations A Kumari, L Mittal, M Srivastava, S Asthana Journal of Biomolecular Structure and Dynamics, 1-19, 2021 | 18 | 2021 |
Molecular dynamics simulations reveal the interaction fingerprint of remdesivir triphosphate pivotal in allosteric regulation of SARS-CoV-2 RdRp M Srivastava, L Mittal, A Kumari, S Asthana Frontiers in molecular biosciences 8, 2021 | 17 | 2021 |
Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR A Kumari, L Mittal, M Srivastava, DP Pathak, S Asthana Frontiers in molecular biosciences 8, 2021 | 13 | 2021 |
Structure-based virtual screening, molecular dynamics simulation and in vitro evaluation to identify inhibitors against NAMPT S Panwar, A Kumari, H Kumar, AK Tiwari, P Tripathi, S Asthana Journal of Biomolecular Structure and Dynamics, 1-13, 2021 | 8 | 2021 |
Serotonin In Brain: A Cue for Alzheimer’s Disease | | |