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

Urs Stocker; Wilfred F. van Gunsteren

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

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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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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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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Deciphering the Interaction of 5,7-Dihydroxyflavone with Hen-Egg-White Lysozyme through Multispectroscopic and Molecular Dynamics Simulation Approaches

ChemistrySelect ◽

10.1002/slct.201800280 ◽

2018 ◽

Vol 3 (17) ◽

pp. 4911-4922 ◽

Cited By ~ 13

Author(s):

Sourav Das ◽

Portia Khanikar ◽

Zaved Hazarika ◽

Mostofa Ataur Rohman ◽

Antara Uzir ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Structural Compactness in Hen Egg White Lysozyme Induced by Bisphenol S: A Spectroscopic and Molecular Dynamics Simulation Approach

ChemPhysChem ◽

10.1002/cphc.202100272 ◽

2021 ◽

Author(s):

Saptarshi Mukherjee ◽

Ushasi Pramanik ◽

Anju Ajayan Kongasseri ◽

Shashi Shekhar ◽

Ashwin Mathew ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Egg White ◽

Dynamics Simulation ◽

Simulation Approach ◽

Hen Egg White Lysozyme ◽

Bisphenol S ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Ester-linked hen egg white lysozyme shows a compact fold in a molecular dynamics simulation - possible causes and sensitivity of experimentally observable quantities to structural changes maintaining this compact fold

FEBS Journal ◽

10.1111/j.1742-4658.2011.08424.x ◽

2011 ◽

Vol 279 (2) ◽

pp. 299-315 ◽

Cited By ~ 4

Author(s):

Andreas P. Eichenberger ◽

Lorna J. Smith ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Changes ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Molecular dynamics simulation of thionated hen egg white lysozyme

Protein Science ◽

10.1002/pro.2102 ◽

2012 ◽

Vol 21 (8) ◽

pp. 1153-1161 ◽

Cited By ~ 4

Author(s):

Wei Huang ◽

Andreas P. Eichenberger ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg

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Molecular Dynamics Simulation of Ester-Linked Hen Egg White Lysozyme Reveals the Effect of Missing Backbone Hydrogen Bond Donors on the Protein Structure

Helvetica Chimica Acta ◽

10.1002/hlca.201000077 ◽

2010 ◽

Vol 93 (10) ◽

pp. 1857-1869 ◽

Cited By ~ 6

Author(s):

Andreas P. Eichenberger ◽

Zrinka Gattin ◽

Garif Yalak ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Egg White ◽

Dynamics Simulation ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg ◽

Backbone Hydrogen Bond

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An analysis of the cobalt(2+) ion-induced nuclear magnetic resonance perturbations of hen egg white lysozyme

Biochemistry ◽

10.1021/bi00601a016 ◽

1978 ◽

Vol 17 (8) ◽

pp. 1463-1468 ◽

Cited By ~ 11

Author(s):

R. E. Lenkinski ◽

D. G. Agresti ◽

D. M. Chen ◽

J. D. Glickson

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Egg White ◽

Hen Egg White Lysozyme ◽

Egg White Lysozyme ◽

Hen Egg White ◽

Hen Egg ◽

Nuclear Magnetic

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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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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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