An insight to the dynamics of conserved water molecular triad in IMPDH II (human): Recognition of cofactor and substrate to catalytic Arg 322 HR Bairagya, BP Mukhopadhyay, K Sekar Journal of Biomolecular Structure and Dynamics 27 (2), 149-158, 2009 | 61 | 2009 |
Conserved water mediated H-bonding dynamics of inhibitor, cofactor, Asp 364 and Asn 303 in human IMPDH II HR Bairagya, BP Mukhopadhyay, K Sekar Journal of Biomolecular Structure and Dynamics 26 (4), 497-507, 2009 | 27 | 2009 |
Structural basis of activation of mammalian heme peroxidases PK Singh, N Iqbal, HV Sirohi, HR Bairagya, P Kaur, S Sharma, TP Singh Progress in Biophysics and Molecular Biology 133, 49-55, 2018 | 19 | 2018 |
Role of salt bridge dynamics in inter domain recognition of human IMPDH isoforms: an insight to inhibitor topology for isoform-II HR Bairagya, BP Mukhopadhyay, AK Bera Journal of Biomolecular Structure and Dynamics 29 (3), 441-462, 2011 | 19 | 2011 |
Role of the conserved water molecules in the binding of inhibitor to IMPDH-II (human): A study on the water mimic inhibitor design HR Bairagya, BP Mukhopadhyay, S Bhattacharya Journal of Molecular Structure: THEOCHEM 908 (1-3), 31-39, 2009 | 19 | 2009 |
Molecular Modeling of the Ternary Complex of Rusticyanin-Cytochrome c4-Cytochrome Oxidase: An Insight to Possible H-Bond Mediated Recognition and Electron Transfer … BP Mukhopadhyay, B Ghosh, HR Bairagya, TK Nandi, B Chakrabarti, ... Journal of Biomolecular Structure and Dynamics 25 (5), 543-551, 2008 | 19 | 2008 |
Inhibition of human 3-hydroxy-3-methylglutaryl CoA reductase by peptides leading to cholesterol homeostasis through SREBP2 pathway in HepG2 cells V Kumar, P Sharma, HR Bairagya, S Sharma, TP Singh, PK Tiku Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1867 (6), 604-615, 2019 | 17 | 2019 |
Conserved water mediated recognition and the dynamics of active site Cys 331 and Tyr 411 in hydrated structure of human IMPDH‐II HR Bairagya, BP Mukhopadhyay, AK Bera Journal of Molecular Recognition 24 (1), 35-44, 2011 | 17 | 2011 |
An insight to the dynamics of conserved water-mediated salt bridge interaction and interdomain recognition in hIMPDH isoforms HR Bairagya, BP Mukhopadhyay Journal of Biomolecular Structure and Dynamics 31 (7), 788-808, 2013 | 16 | 2013 |
Conserved water-mediated recognition and dynamics of NAD+ (carboxamide group) to hIMPDH enzyme: water mimic approach toward the design of isoform-selective inhibitor HR Bairagya, DK Mishra, BP Mukhopadhyay, K Sekar Journal of Biomolecular Structure and Dynamics 32 (8), 1248-1262, 2014 | 15 | 2014 |
Conserved water mediated H-bonding dynamics of Ser117 and Thr119 residues in human transthyretin–thyroxin complexation: Inhibitor modeling study through docking and molecular … A Banerjee, HR Bairagya, BP Mukhopadhyay, TK Nandi, DK Mishra Journal of Molecular Graphics and Modelling 44, 70-80, 2013 | 14 | 2013 |
Conserved water-mediated H-bonding dynamics of catalytic Asn 175 in plant thiol protease TK Nandi, HR Bairagya, BP Mukhopadhyay, K Sekar, D Sukul, AK Bera Journal of biosciences 34, 27-34, 2009 | 14 | 2009 |
An insight to conserved water molecular dynamics of catalytic and structural Zn+ 2 ions in matrix metalloproteinase 13 of human B Chakrabarti, HR Bairagya, P Mallik, BP Mukhopadhyay, AK Bera Journal of Biomolecular Structure and Dynamics 28 (4), 503-516, 2011 | 13 | 2011 |
Structural insight to mutated Y116S transthyretin by molecular dynamics simulation A Banerjee, HR Bairagya, BP Mukhopadhyay, TK Nandi, AK Bera Indian J Biochem Biophys 47 (4), 197-202, 2010 | 13 | 2010 |
Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study S Reyaz, A Tasneem, GP Rai, HR Bairagya Journal of Molecular Graphics and Modelling 109, 108021, 2021 | 11 | 2021 |
Modeling Study of Rusticyanin-Cytochrome C4 Complex: An Insight to Possible H-Bond Mediated Recognition and Electron—Transfer Process BP Mukhopadhyay, B Ghosh, HR Bairagya, AK Bera, TK Nandi, SB Das Journal of Biomolecular Structure and Dynamics 25 (2), 157-164, 2007 | 11 | 2007 |
Structural insights of a cellobiose dehydrogenase enzyme from the basidiomycetes fungus Termitomyces clypeatus S Banerjee, A Roy, MS Madhusudhan, HR Bairagya, A Roy Computational Biology and Chemistry 82, 65-73, 2019 | 10 | 2019 |
Effect of amino acids on bioleaching of chalcopyrite ore by Thiobacillus ferrooxidans B Ghosh, BP Mukhopadhyay, HR Bairagya African Journal of Biotechnology 11 (8), 1991-1996, 2012 | 10 | 2012 |
Protein folding: grand challenge of nature BP Mukhopadhyay, HR Bairagya Journal of Biomolecular Structure and Dynamics 28 (4), 637-638, 2011 | 10 | 2011 |
New biochemical insight of conserved water molecules at catalytic and structural Zn2+ ions in human matrix metalloproteinase-I: a study by MD-simulation B Chakrabarti, HR Bairagya, BP Mukhopadhyay, K Sekar Journal of molecular modeling 23, 1-13, 2017 | 7 | 2017 |