H. R. Bairagya

发表

New insight into the architecture of oxy‐anion pocket in unliganded conformation of GAT domains: A MD‐simulation study

M. Bansal, H. R. Bairagya, Hridoy R. Bairagya, 2016, Proteins.

Putative role of invariant water molecules in the X-ray structures of family G fungal endoxylanases

A. Roy, H. R. Bairagya, Protyusha Dey, 2018, Journal of Biosciences.

An insight to the dynamics of conserved water-mediated salt bridge interaction and interdomain recognition in hIMPDH isoforms

H. R. Bairagya, B. Mukhopadhyay, B. P. Mukhopadhyay, 2013, Journal of biomolecular structure & dynamics.

Conserved water-mediated recognition and dynamics of NAD+ (carboxamide group) to hIMPDH enzyme: water mimic approach toward the design of isoform-selective inhibitor

R. Sarma, K. Sekar, H. R. Bairagya, 2014, Journal of biomolecular structure & dynamics.

Conserved water mediated H-bonding dynamics of Ser117 and Thr119 residues in human transthyretin-thyroxin complexation: inhibitor modeling study through docking and molecular dynamics simulation.

T. K. Nandi, H. R. Bairagya, B. Mukhopadhyay, 2013, Journal of molecular graphics & modelling.

Structural basis of activation of mammalian heme peroxidases.

Sujata Sharma, T. Singh, P. Kaur, 2017, Progress in Biophysics and Molecular Biology.

New biochemical insight of conserved water molecules at catalytic and structural Zn2+ ions in human matrix metalloproteinase-I: a study by MD-simulation

K. Sekar, H. R. Bairagya, B. Mukhopadhyay, 2017, Journal of Molecular Modeling.

Role of Salt Bridge Dynamics in Inter Domain Recognition of Human IMPDH Isoforms: An Insight to Inhibitor Topology for Isoform-II

A. Bera, H. R. Bairagya, B. Mukhopadhyay, 2011, Journal of biomolecular structure & dynamics.

Conserved water mediated recognition and the dynamics of active site Cys 331 and Tyr 411 in hydrated structure of human IMPDH‐II

A. Bera, H. R. Bairagya, B. Mukhopadhyay, 2011, Journal of molecular recognition : JMR.

A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies.

Sujata Sharma, T. Singh, P. Kaur, 2018, Archives of biochemistry and biophysics.

Structural insights of a cellobiose dehydrogenase enzyme from the basidiomycetes fungus Termitomyces clypeatus

Sanchita Banerjee, Ankit A Roy, Mallur S. Madhusudhan, 2019, Comput. Biol. Chem..

Role of the conserved water molecules in the binding of inhibitor to IMPDH-II (human): A study on the water mimic inhibitor design

H. R. Bairagya, Hridoy R. Bairagya, Bishnu P. Mukhopadhyay, 2009 .

Effect of amino acids on bioleaching of chalcopyrite ore by Thiobacillus ferrooxidans

H. R. Bairagya, B. P. Mukhopadhyay, B. Ghosh, 2012 .

Molecular Modeling of the Ternary Complex of Rusticyanin-Cytochrome c4-Cytochrome Oxidase: An Insight to Possible H-Bond Mediated Recognition and Electron Transfer Reaction in T.ferrooxidans

T. K. Nandi, A. Bera, H. R. Bairagya, 2008, Journal of biomolecular structure & dynamics.

Modeling Study of Rusticyanin-Cytochrome C4 Complex: An Insight to Possible H-Bond Mediated Recognition and Electron—Transfer Process

T. K. Nandi, A. Bera, H. R. Bairagya, 2007, Journal of biomolecular structure & dynamics.

New biochemical insights into the dynamics of water molecules at the GMP or IMP binding site of human GMPR enzyme: A molecular dynamics study

H. R. Bairagya, G. Rai, Alvea Tasneem, 2021, Proteins.

The Possible Molecular Mechanism of SARS-CoV-2 Main Protease: New Structural Insights from Computational Methods

H. R. Bairagya, G. Rai, Alvea Tasneem, 2021 .

An Insight to Conserved Water Molecular Dynamics of Catalytic and Structural Zn+2 ions in Matrix Metalloproteinase 13 of Human

A. Bera, H. R. Bairagya, B. Chakrabarti, 2011, Journal of biomolecular structure & dynamics.

Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study

H. R. Bairagya, G. Rai, Alvea Tasneem, 2021, Journal of Molecular Graphics and Modelling.

Structural and Putative Functional Role of Conserved Water Molecular Cluster in the X-ray Structures of Plant Thiol Proteases: A Molecular Dynamics Simulation Study

T. K. Nandi, H. R. Bairagya, Deepak K. Mishra, 2012, Journal of Chemical Crystallography.

Conserved water-mediated H-bonding dynamics of catalytic His159 and Asp158: insight into a possible acid–base coupled mechanism in plant thiol protease

T. K. Nandi, A. Bera, H. R. Bairagya, 2012, Journal of Molecular Modeling.

Conserved water-mediated H-bonding dynamics of catalytic Asn 175 in plant thiol protease

T. K. Nandi, K. Sekar, A. Bera, 2009, Journal of Biosciences.

Putative role of invariant water molecules in the X-ray structures of family G fungal endoxylanases

A. Roy, H. R. Bairagya, Protyusha Dey, 2018, Journal of Biosciences.

An Insight to the Dynamics of Conserved Water Molecular Triad in IMPDH II (Human): Recognition of Cofactor and Substrate to Catalytic Arg 322

Hridoy R Bairagya, K. Sekar, H. R. Bairagya, 2009, Journal of biomolecular structure & dynamics.

Conserved Water Mediated H-bonding Dynamics of Inhibitor, Cofactor, Asp 364 and Asn 303 in Human IMPDH II

K. Sekar, H. R. Bairagya, B. P. Mukhopadhyay, 2009, Journal of biomolecular structure & dynamics.

Conserved Water Molecular Dynamics of the Different X-ray Structures of Rusticyanin: An Unique Aquation Potentiality of the Ligand Bonded Cu++ Center

A. Bera, H. R. Bairagya, R. Roy, 2007, Journal of biomolecular structure & dynamics.

Inhibition of human 3-hydroxy-3-methylglutaryl CoA reductase by peptides leading to cholesterol homeostasis through SREBP2 pathway in HepG2 cells.

T. Singh, Purnima Kaul Tiku, H. R. Bairagya, 2019, Biochimica et biophysica acta. Proteins and proteomics.

Identification of potential therapeutic targets for COVID-19 through a structural-based similarity approach between SARS-CoV-2 and its human host proteins

H. R. Bairagya, Armiya Sultan, Ravins Dohare, 2024, Frontiers in genetics.