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 | 351 | 2021 |
In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C protein V Rajendran, R Purohit, R Sethumadhavan Amino Acids 43 (2), 603-15, 2011 | 186 | 2011 |
Mutational analysis of oculocutaneous albinism: a compact review B Kamaraj, R Purohit BioMed research international 2014 (1), 905472, 2014 | 180 | 2014 |
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 | 169 | 2021 |
Use of long term molecular dynamics simulation in predicting cancer associated SNPs A Kumar, R Purohit PLoS computational biology 10 (4), e1003318, 2014 | 137 | 2014 |
Role of ELA region in auto-activation of mutant KIT receptor: a molecular dynamics simulation insight R Purohit Journal of Biomolecular Structure and Dynamics 32 (7), 1033-1046, 2014 | 110 | 2014 |
AKT kinase pathway: a leading target in cancer research A Kumar, V Rajendran, R Sethumadhavan, R Purohit The Scientific World Journal 2013 (1), 756134, 2013 | 107 | 2013 |
CEP proteins: the knights of centrosome dynasty A Kumar, V Rajendran, R Sethumadhavan, R Purohit Protoplasma 250, 965-983, 2013 | 106 | 2013 |
In-silico screening and molecular dynamics simulation of disease associated nsSNP in TYRP1 gene and its structural consequences in OCA3. B Kamaraj, R Purohit BioMed Research International 2013, 13, 2013 | 101 | 2013 |
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 | 98 | 2021 |
Impact of point mutation P29S in RAC1 on tumorigenesis V Rajendran, C Gopalakrishnan, R Purohit Tumor Biology 37, 15293-15304, 2016 | 97 | 2016 |
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 | 96 | 2021 |
Evidence of colorectal cancer-associated mutation in MCAK: a computational report A Kumar, V Rajendran, R Sethumadhavan, R Purohit Cell Biochemistry and Biophysics 67, 837-851, 2013 | 91 | 2013 |
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 | 82 | 2021 |
Computational screening and molecular dynamics simulation of disease associated nsSNPs in CENP-E A Kumar, R Purohit Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis 738 …, 2012 | 79 | 2012 |
Molecular dynamic simulation reveals damaging impact of RAC1 F28L mutation in the switch I region A Kumar, V Rajendran, R Sethumadhavan, R Purohit PloS one 8 (10), e77453, 2013 | 77 | 2013 |
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 | 75 | 2021 |
Relationship between mutation of serine residue at 315th position in M. tuberculosis catalase-peroxidase enzyme and Isoniazid susceptibility: An in silico analysis R Purohit, V Rajendran, R Sethumadhavan Journal of Molecular Modeling 17, 869-877, 2011 | 74 | 2011 |
Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validation VK Bhardwaj, R Purohit Journal of Biomolecular Structure and Dynamics 39 (11), 3882-3891, 2021 | 72 | 2021 |