Multi‐spectroscopic and molecular dynamics simulations investigation of the binding mechanism of polybrominated diphenyl ethers to hen egg white lysozyme

Yanqiu Zuo; Yuefan Rui; Jie Xu; Lulu Yang; Zhongsheng Yi

doi:10.1002/bio.3669

Multi‐spectroscopic and molecular dynamics simulations investigation of the binding mechanism of polybrominated diphenyl ethers to hen egg white lysozyme

Luminescence ◽

10.1002/bio.3669 ◽

2019 ◽

Vol 34 (7) ◽

pp. 749-758

Author(s):

Yanqiu Zuo ◽

Yuefan Rui ◽

Jie Xu ◽

Lulu Yang ◽

Zhongsheng Yi

Keyword(s):

Molecular Dynamics ◽

Polybrominated Diphenyl Ethers ◽

Egg White ◽

Binding Mechanism ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Diphenyl Ethers ◽

Hen Egg White ◽

Dynamics Simulations ◽

Hen Egg

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Molecular Dynamics Simulations To Determine the Effect of Supercritical Carbon Dioxide on the Structural Integrity of Hen Egg White Lysozyme

Biotechnology Progress ◽

10.1021/bp034313k ◽

2004 ◽

Vol 20 (3) ◽

pp. 930-938 ◽

Cited By ~ 17

Author(s):

H.-L. Liu ◽

W.-C. Hsieh ◽

H.-S. Liu

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Supercritical Carbon Dioxide ◽

Structural Integrity ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Dynamics Simulations ◽

Hen Egg

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Molecular Dynamics Simulations of Hen Egg White Lysozyme Adsorption at a Charged Solid Surface

The Journal of Physical Chemistry B ◽

10.1021/jp901521x ◽

2009 ◽

Vol 113 (36) ◽

pp. 12189-12200 ◽

Cited By ~ 70

Author(s):

Karina Kubiak ◽

Paul A. Mulheran

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Solid Surface ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Lysozyme Adsorption ◽

Dynamics Simulations ◽

Hen Egg

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Structure of hen egg-white lysozyme solvated in TFE/water: a molecular dynamics simulation study based on NMR data

Journal of Biomolecular NMR ◽

10.1007/s10858-013-9717-y ◽

2013 ◽

Vol 55 (4) ◽

pp. 339-353 ◽

Cited By ~ 9

Author(s):

Andreas P. Eichenberger ◽

Wilfred F. van Gunsteren ◽

Lorna J. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Nmr Data ◽

Hen Egg White ◽

Hen Egg

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Response to “Comment on ‘Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study’” [J. Chem. Phys. 126, 091105 (2007)]

The Journal of Chemical Physics ◽

10.1063/1.2768345 ◽

2007 ◽

Vol 127 (11) ◽

pp. 117102

Author(s):

Niall J. English ◽

Damian A. Mooney

Keyword(s):

Molecular Dynamics ◽

Electromagnetic Fields ◽

Chem Phys ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Binding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field

Journal of Computational Chemistry ◽

10.1002/jcc.23109 ◽

2012 ◽

Vol 34 (3) ◽

pp. 163-174 ◽

Cited By ~ 15

Author(s):

Yang Zhong ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Polarizable Force Field ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Molecular dynamics simulation of hen egg white lysozyme: A test of the GROMOS96 force field against nuclear magnetic resonance data

Proteins Structure Function and Bioinformatics ◽

10.1002/(sici)1097-0134(20000701)40:1<145::aid-prot160>3.0.co;2-y ◽

2000 ◽

Vol 40 (1) ◽

pp. 145-153 ◽

Cited By ~ 61

Author(s):

Urs Stocker ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Hen Egg White ◽

Hen Egg

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Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study

The Journal of Chemical Physics ◽

10.1063/1.2515315 ◽

2007 ◽

Vol 126 (9) ◽

pp. 091105 ◽

Cited By ~ 66

Author(s):

Niall J. English ◽

Damian A. Mooney

Keyword(s):

Molecular Dynamics ◽

Electromagnetic Fields ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Molecular recognition of two bioactive coumarin derivatives 7-hydroxycoumarin and 4-methyl-7-hydroxycoumarin by hen egg white lysozyme: Exploring the binding mechanism, thermodynamic parameters and structural changes using multispectroscopic and computational approaches

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1995499 ◽

2021 ◽

pp. 1-17

Author(s):

Sona Lyndem ◽

Rabiul Gazi ◽

Madhurima Jana ◽

Vinay Kumar Belwal ◽

Atanu Singha Roy

Keyword(s):

Thermodynamic Parameters ◽

Structural Changes ◽

Egg White ◽

Coumarin Derivatives ◽

Binding Mechanism ◽

Hen Egg White Lysozyme ◽

Computational Approaches ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Construction of Enzyme-Substrate Complexes between Hen Egg-White Lysozyme and N-Acetyl-d-Glucosamine Hexamer by Systematic Conformational Search and Molecular Dynamics Simulation

The Journal of Biochemistry ◽

10.1093/jb/mvj142 ◽

2006 ◽

Vol 140 (2) ◽

pp. 221-227 ◽

Cited By ~ 3

Author(s):

Hideki Hirakawa ◽

Yoshihiro Kawahara ◽

Atsuko Ochi ◽

Shigeru Muta ◽

Shunsuke Kawamura ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Egg White ◽

Dynamics Simulation ◽

Conformational Search ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Enzyme Substrate ◽

Hen Egg White ◽

Hen Egg

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Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics

Journal of Chemical Theory and Computation ◽

10.1021/ct300512h ◽

2012 ◽

Vol 8 (11) ◽

pp. 4393-4404 ◽

Cited By ~ 67

Author(s):

Jason M. Swails ◽

Adrian E. Roitberg

Keyword(s):

Molecular Dynamics ◽

Egg White ◽

Replica Exchange ◽

Hen Egg White Lysozyme ◽

Protonation State ◽

Replica Exchange Molecular Dynamics ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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