Kanipakam Hema

Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations

Sudheer Kumar Katari, Pradeep Natarajan, Sandeep Swargam et al. · Journal of Receptors and Signal Transduction · 2016 · 63 citations

Screening Malaria-box compounds to identify potential inhibitors against SARS-CoV-2 Mpro, using molecular docking and dynamics simulation studies

Shahzaib Ahamad, Kanipakam Hema, Shweta Birla et al. · European Journal of Pharmacology · 2020 · 44 citations · Full text

Medicine, Pharmacology, Antiviral Drug Development +7

Unravelling high-affinity binding compounds towards transmembrane protease serine 2 enzyme in treating SARS-CoV-2 infection using molecular modelling and docking studies

M Pooja, Gangavaram Jyothi Reddy, Kanipakam Hema et al. · European Journal of Pharmacology · 2020 · 41 citations · Full text

Protein Assembly, Biochemistry, Protein Folding +10

Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding

Shahzaib Ahamad, Kanipakam Hema, Dinesh Gupta · Journal of Biomolecular Structure and Dynamics · 2020 · 39 citations · Full text

Virus Structure, Viral Evolution, Virus Spike Glycoprotein +14

A molecular journey to check the conformational dynamics of tau tubulin kinase 2 mutations associated with Alzheimer's disease

Shahzaib Ahamad, Kanipakam Hema, Vijay Kumar et al. · RSC Advances · 2021 · 32 citations · Full text

Conformational Dynamics, Protein Assembly, Molecular Journey +19