| Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors VK Bhardwaj, R Singh, J Sharma, V Rajendran, R Purohit, S Kumar Journal of Biomolecular Structure and Dynamics 39 (10), 3449-3458, 2021 | 340 | 2021 |
| An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2 J Sharma, VK Bhardwaj, R Singh, V Rajendran, R Purohit, S Kumar Food chemistry 346, 128933, 2021 | 149 | 2021 |
| Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs VK Bhardwaj, R Singh, P Das, R Purohit Computers in Biology and Medicine 128, 104117, 2021 | 97 | 2021 |
| Identification of potential plant bioactive as SARS-CoV-2 Spike protein and human ACE2 fusion inhibitors R Singh, VK Bhardwaj, J Sharma, D Kumar, R Purohit Computers in Biology and Medicine 136, 104631, 2021 | 91 | 2021 |
| In-silico evaluation of bioactive compounds from tea as potential SARS-CoV-2 nonstructural protein 16 inhibitors R Singh, VK Bhardwaj, J Sharma, R Purohit, S Kumar Journal of traditional and complementary medicine 12 (1), 35-43, 2022 | 87 | 2022 |
| Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparum R Singh, V Bhardwaj, R Purohit Journal of Biomolecular Structure and Dynamics 39 (1), 348-356, 2021 | 76 | 2021 |
| Potential of turmeric-derived compounds against RNA‐dependent RNA polymerase of SARS‐CoV‐2: an in-silico approach R Singh, VK Bhardwaj, R Purohit Computers in Biology and Medicine 139, 104965, 2021 | 69 | 2021 |
| A computational approach for rational discovery of inhibitors for non-structural protein 1 of SARS-CoV-2 R Singh, VK Bhardwaj, P Das, R Purohit Computers in biology and medicine 135, 104555, 2021 | 68 | 2021 |
| Discovery and in silico evaluation of aminoarylbenzosuberene molecules as novel checkpoint kinase 1 inhibitor determinants R Singh, VK Bhardwaj, J Sharma, P Das, R Purohit Genomics 113 (1), 707-715, 2021 | 62 | 2021 |
| Natural analogues inhibiting selective cyclin-dependent kinase protein isoforms: a computational perspective R Singh, V Bhardwaj, P Das, R Purohit Journal of Biomolecular Structure and Dynamics 38 (17), 5126-5135, 2020 | 62 | 2020 |
| Identification of acridinedione scaffolds as potential inhibitor of DENV‐2 C protein: An in silico strategy to combat dengue S Kumar, VK Bhardwaj, R Singh, P Das, R Purohit Journal of Cellular Biochemistry 123 (5), 935-946, 2022 | 61 | 2022 |
| Structural based study to identify new potential inhibitors for dual specificity tyrosine-phosphorylation-regulated kinase VK Bhardwaj, R Singh, J Sharma, P Das, R Purohit Computer Methods and Programs in Biomedicine 194, 105494, 2020 | 59 | 2020 |
| Computational targeting of allosteric site of MEK1 by quinoline‐based molecules R Singh, VK Bhardwaj, R Purohit Cell Biochemistry and Function 40 (5), 481-490, 2022 | 55 | 2022 |
| Bioactive molecules of tea as potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2 VK Bhardwaj, R Singh, J Sharma, V Rajendran, R Purohit, S Kumar Frontiers in Medicine 8, 684020, 2021 | 52 | 2021 |
| Identification of 11β-HSD1 inhibitors through enhanced sampling methods R Singh, VK Bhardwaj, P Das, R Purohit Chemical Communications 58 (32), 5005-5008, 2022 | 50 | 2022 |
| Elimination of bitter-off taste of stevioside through structure modification and computational interventions V Bhardwaj, R Singh, P Singh, R Purohit, S Kumar Journal of Theoretical Biology 486, 110094, 2020 | 36 | 2020 |
| Inhibition of nonstructural protein 15 of SARS‐CoV‐2 by golden spice: A computational insight R Singh, VK Bhardwaj, R Purohit Cell biochemistry and function 40 (8), 926-934, 2022 | 35 | 2022 |
| Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico exploration R Singh, VK Bhardwaj, J Sharma, P Das, R Purohit Journal of Biomolecular Structure and Dynamics 40 (17), 7693-7701, 2022 | 34 | 2022 |
| Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations R Singh, VK Bhardwaj, P Das, D Bhattacherjee, GV Zyryanov, R Purohit Computers in Biology and Medicine 146, 105572, 2022 | 32 | 2022 |
| Computational analysis of protein-ligand interaction by targeting a cell cycle restrainer R Singh, R Purohit Computer Methods and Programs in Biomedicine 231, 107367, 2023 | 24 | 2023 |
Vijay Kumar BhardwajCSIR-IHBT在 acsir.res.in 的电子邮件经过验证
Vijay Kumar BhardwajCSIR-IHBT在 acsir.res.in 的电子邮件经过验证
Sachin KumarPostdoc at University of California, Irvine, CA在 acsir.res.in 的电子邮件经过验证