| Understanding the co-loading and releasing of doxorubicin and paclitaxel using chitosan functionalized single-walled carbon nanotubes by molecular dynamics simulations KR Karnati, Y Wang Physical Chemistry Chemical Physics 20 (14), 9389-9400, 2018 | 88 | 2018 |
| Tool development for Prediction of pIC50 values from the IC50 values-A pIC50 value calculator C Selvaraj, SK Tripathi, KK Reddy, SK Singh Current Trends in Biotechnology and Pharmacy 5 (2), 1104-1109, 2011 | 61 | 2011 |
| Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach SK Tripathi, SK Singh, P Singh, P Chellaperumal, KK Reddy, C Selvaraj Journal of Molecular Recognition 25 (10), 504-512, 2012 | 45 | 2012 |
| Identification of potential HIV-1 integrase strand transfer inhibitors: in silico virtual screening and QM/MM docking studies KK Reddy, SK Singh, SK Tripathi, C Selvaraj SAR and QSAR in Environmental Research 24 (7), 581-595, 2013 | 39 | 2013 |
| Molecular docking, QPLD, and ADME prediction studies on HIV-1 integrase leads SK Tripathi, C Selvaraj, SK Singh, KK Reddy Medicinal Chemistry Research 21, 4239-4251, 2012 | 39 | 2012 |
| In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach C Selvaraj, SK Singh, SK Tripathi, KK Reddy, M Rama Medicinal Chemistry Research 21, 4060-4068, 2012 | 39 | 2012 |
| Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14α-demethylase inhibitors KK Reddy, SK Singh, SK Tripathi, C Selvaraj, V Suryanarayanan Journal of Receptors and Signal Transduction 33 (4), 234-243, 2013 | 38 | 2013 |
| Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors KK Reddy, SK Singh, N Dessalew, SK Tripathi, C Selvaraj Journal of enzyme inhibition and medicinal chemistry 27 (3), 339-347, 2012 | 38 | 2012 |
| Combined ligand and structure-based approaches on HIV-1 integrase strand transfer inhibitors KK Reddy, SK Singh Chemico-Biological Interactions 218, 71-81, 2014 | 36 | 2014 |
| Blocking the interaction between HIV-1 integrase and human LEDGF/p75: mutational studies, virtual screening and molecular dynamics simulations KK Reddy, P Singh, SK Singh Molecular BioSystems 10 (3), 526-536, 2014 | 36 | 2014 |
| A three-dimensional chemical phase pharmacophore mapping, QSAR modelling and electronic feature analysis of benzofuran salicylic acid derivatives as LYP inhibitors V Suryanarayanan, S Kumar Singh, S Kumar Tripathi, C Selvaraj, ... SAR and QSAR in Environmental Research 24 (12), 1025-1040, 2013 | 19 | 2013 |
| A fluorescence-displacement assay using molecularly imprinted polymers for the visual, rapid, and sensitive detection of the algal metabolites, geosmin and 2-methylisoborneol C Li, MH Ngai, KK Reddy, SCY Leong, YW Tong, CLL Chai Analytica Chimica Acta 1066, 121-130, 2019 | 18 | 2019 |
| Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis KR Karnati, Y Wang Journal of Molecular Graphics and Modelling 92, 112-122, 2019 | 14 | 2019 |
| 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 K Konda Reddy, S Kumar Singh Current Topics in Medicinal Chemistry 15 (1), 43-49, 2015 | 9 | 2015 |
| Mechanistic insights into SARS-CoV-2 main protease inhibition reveals hotspot residues P Marimuthu, S Gorle, KR Karnati Journal of Chemical Information and Modeling 61 (12), 6053-6065, 2021 | 6 | 2021 |
| Effect of HIV-1 subtype C integrase mutations implied using molecular modeling and docking data J Sachithanandham, KK Reddy, K Solomon, S David, SK Singh, ... Bioinformation 12 (3), 221, 2016 | 6 | 2016 |
| Exploring the binding mode and thermodynamics of inverse agonists against estrogen-related receptor alpha KR Karnati, Y Wang, Y Du RSC advances 10 (28), 16659-16668, 2020 | 4 | 2020 |
| Computational Aspects of Biomolecular Recognition and Processes AK Srivastava, KR Karnati, KD Dubey Frontiers in Chemistry 12, 1405585, 2024 | | 2024 |
| Molecular Modeling and Drug Design: A Contemporary Analysis in Vibrio cholerae MHUT Fazil, K Konda Reddy, HP Pandey, S Kumar Current trends in Bioinformatics: An Insight, 107-119, 2018 | | 2018 |
| Mechanistic insights into hiv 1 integrase inhibition by strand transfer and ledgf p75 binding site inhibitors KK Reddy Karaikudi, 0 | | |
Dr. Sanjeev Kumar SinghProfessor, Department of Bioinformatics, Alagappa University, Karaikudi-630004Email verificata su sanjeevslab.org
