Bowie State University Closed on Jan. 26 Due to Inclement Weather

Due to inclement weather, Bowie State University will be closed on Monday, January 26, 2026. All classes, office operations and on-campus activities are canceled. Residence halls will remain open. Essential personnel should report as scheduled. Additional updates will be shared as needed. For more information, please visit BowieState.edu/weather.

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Konda Reddy Karnati - Publications

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Selected Publications

  • Karnati KR, Wang Y, Du Y. (2020) Exploring the binding mode and thermodynamics of inverse agonists against estrogen-related receptor alpha. RSC Advances. 10, 16659 – 16668.
  • Karnati KR and Wang Y. (2019) Structural and Binding Insights Into HIV-1 Protease and P2-Ligand Interactions Through Molecular Dynamics Simulations, Binding Free Energy and Principal Component Analysis. Journal of Molecular Graphics and Modeling. 92, 112-122
  • Cheng Li, Ngai MH, Karnati KR, Leong SCY, Tong YW, Christina LL Chai. (2019) A fluorescence-displacement assay using molecularly imprinted polymers for the visual, rapid, and sensitive detection of the algal metabolites, geosmin and 2-methylisoborneol. Analytica Chimica Acta. 1066:121-130.
  • Karnati KR and Wang Y. (2018) Understanding Co-loading and Releasing of Doxorubicin and Paclitaxel using Chitosan Functionalized Single-Walled Carbon Nanotubes by Molecular Dynamics Simulations. Phys. Chem. Chem. Phys. 20: 9389-9400.
  • Karnati KR, Singh SK. (2015) Insight into the binding mode between N-methyl pyrimidones and prototype foamy virus integrase-DNA complex by QM-polarized ligand docking and molecular dynamics simulations. Current Topics in Medicinal Chemistry. 15: 43-49.
  • Karnati KR, Singh SK. (2014) Combined ligand and structure-based approaches on HIV-1 integrase strand transfer inhibitors. Chemico-Biological Interactions. 218: 71-81.
  • Karnati KR, Singh P, Singh SK. (2014) Blocking the interaction between HIV-1 integrase and human LEDGF/p75: mutational studies, virtual screening and molecular dynamics simulations. Molecular Biosystems. 10:526-536.
  • Karnati KR, Singh SK, Tripathi SK, Selvaraj C, Suryanarayanan V. (2013) Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14alpha-demethylase inhibitors. J Recept Signal Transduct Res. 33:234-243.
  • Karnati KR, Singh SK, Tripathi SK, Selvaraj C. (2013) Identification of potential HIV-1 integrase strand transfer inhibitors: In silico virtual screening and QM/MM docking studies. SAR QSAR Environ Res. 24:581-595.
  • Tripathi SK, Singh SK, Singh P, Chellaperumal P, Karnati KR, Selvaraj C. (2012) Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach. J Mol Recognit. 25:504-512.
  • Karnati KR, Singh SK, Dessalew N, Tripathi SK, Selvaraj C. (2012) Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors. J Enzyme Inhib Med Chem. 27:339-347.

Book Chapters

  • Fazil MHT, Karnati KR, Pandey HP, Sunil K. Molecular Modeling and Drug Design: A Contemporary Analysis in Vibrio Cholerae. Book titled “Current Trends in Bioinformatics: An Insight, Gulshan Wadhwa et al. (Eds), Springer Nature, 2018.
  • Karnati KR, Singh SK. Protein-Protein Interactions: Computational Tools and Methods. Book titled “Information and Knowledge Management Tools, Techniques and Practices, Roy,A.K. (ed.), pp.341-356, New India Publishing Agency, New Delhi, 2013.
  • Karnati KR, Singh SK. Data Mining and Text Mining in Bioinformatics. Book titled “Applied Computational Biology and Statistics in Biotechnology and Bioinformatics”, Roy,A.K. (ed.), pp.1039-1050, New India Publishing Agency, New Delhi, 2012.