Bishnu P. Mukhopadhyay

Durgapur, MP, India

Last Updated: 09/26/2026

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Found 15 publications

The conformational dynamics of wing gates Ile199 and Phe103 on the binding of dopamine and benzylamine substrates in human monoamine Oxidase B.

The conformational dynamics of wing gates Ile199 and Phe103 on the binding of dopamine and benzylamine substrates in human monoamine Oxidase B.

Journal: Journal of biomolecular structure & dynamics

Published: February 26, 2020

Molecular dynamics analysis of conserved water mediated inter-domain recognition of His667-Trp669 in human ceruloplasmin.

Molecular dynamics analysis of conserved water mediated inter-domain recognition of His667-Trp669 in human ceruloplasmin.

Journal: Bioinformation

Published: February 19, 2020

Insights from molecular dynamics simulation of human ceruloplasmin (ferroxidase enzyme) binding with biogenic monoamines.

Insights from molecular dynamics simulation of human ceruloplasmin (ferroxidase enzyme) binding with biogenic monoamines.

Journal: Bioinformation

Published: October 25, 2019

Putative role of conserved water molecules in the hydration and inter-domain recognition of mono nuclear copper centers in O2-bound human ceruloplasmin: A comparative study between X-ray and MD simulated structures.

Putative role of conserved water molecules in the hydration and inter-domain recognition of mono nuclear copper centers in O2-bound human ceruloplasmin: A comparative study between X-ray and MD simulated structures.

Journal: Bioinformation

Published: May 08, 2019

Recognition dynamics of trinuclear copper cluster and associated histidine residues through conserved or semi-conserved water molecules in human Ceruloplasmin: The involvement of aspartic and glutamic acid gates.

Recognition dynamics of trinuclear copper cluster and associated histidine residues through conserved or semi-conserved water molecules in human Ceruloplasmin: The involvement of aspartic and glutamic acid gates.

Journal: Journal of biomolecular structure & dynamics

Published: November 18, 2017

Recognition dynamics of dopamine to human Monoamine oxidase B: role of Leu171/Gln206 and conserved water molecules in the active site cavity.

Recognition dynamics of dopamine to human Monoamine oxidase B: role of Leu171/Gln206 and conserved water molecules in the active site cavity.

Journal: Journal of biomolecular structure & dynamics

Published: May 03, 2017

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

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

Journal: Journal of molecular modeling

Published: September 11, 2015

The putative role of some conserved water molecules in the structure and function of human transthyretin.

The putative role of some conserved water molecules in the structure and function of human transthyretin.

Journal: Acta crystallographica. Section D, Biological crystallography

Published: February 09, 2015

An insight to the conserved water mediated dynamics of catalytic His88 and its recognition to thyroxin and RBP binding residues in human transthyretin.

An insight to the conserved water mediated dynamics of catalytic His88 and its recognition to thyroxin and RBP binding residues in human transthyretin.

Journal: Journal of biomolecular structure & dynamics

Published: November 06, 2014

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

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

Journal: Journal of biomolecular structure & dynamics

Published: July 09, 2013

Protein folding: challenge to chemistry.

Protein folding: challenge to chemistry.

Journal: Journal of biomolecular structure & dynamics

Published: January 10, 2013

Insight towards the conserved water mediated recognition of catalytic and structural Zn(+2) ions in human Matrix Metalloproteinase-8 enzyme: A study by MD-simulation methods.

Insight towards the conserved water mediated recognition of catalytic and structural Zn(+2) ions in human Matrix Metalloproteinase-8 enzyme: A study by MD-simulation methods.

Journal: Bioinformation

Published: January 07, 2013

Showing 1-12 of 15

Last Updated: 09/26/2026