Rituraj Purohit

Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 342 citations · Full text

Molecular Docking, Bioactive Molecules, Antiviral Compound +15

An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2

Jatin Sharma, Vijay Kumar Bhardwaj, Rahul Singh et al. · Food Chemistry · 2020 · 242 citations · Full text

Different Bioactive Molecules, Medicine, Immunology +7

In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C protein

Vidya Rajendran, Rituraj Purohit, Rao Sethumadhavan · Amino Acids · 2011 · 176 citations

Biochemistry, Natural Sciences, Pathogenesis +7

Use of Long Term Molecular Dynamics Simulation in Predicting Cancer Associated SNPs

Ambuj Kumar, Rituraj Purohit · PLoS Computational Biology · 2014 · 122 citations · Full text

Engineering, Structural Bioinformatics, Biomolecular Structure Prediction +22

Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico exploration

Rahul Singh, Vijay Kumar Bhardwaj, Jatin Sharma et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 122 citations · Full text

Chemoprevention Strategy, Ligand Efficiency, Organic Chemistry +18