Molecular dynamics simulations and NMR spectroscopy studies of trehalose–lipid bilayer systems

Jon Kapla; Olof Engström; Baltzar Stevensson; Jakob Wohlert; Göran Widmalm; Arnold Maliniak

doi:10.1039/c5cp02472b

Molecular dynamics simulations and NMR spectroscopy studies of trehalose–lipid bilayer systems

Physical Chemistry Chemical Physics ◽

10.1039/c5cp02472b ◽

2015 ◽

Vol 17 (34) ◽

pp. 22438-22447 ◽

Cited By ~ 10

Author(s):

Jon Kapla ◽

Olof Engström ◽

Baltzar Stevensson ◽

Jakob Wohlert ◽

Göran Widmalm ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Physical Properties ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Lipid Bilayers ◽

Trehalose Lipid ◽

Spectroscopy Studies ◽

Dynamics Simulations

The disaccharide trehalose (TRH) strongly affects the physical properties of lipid bilayers.

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Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations

Journal of Molecular Modeling ◽

10.1007/s00894-019-3964-0 ◽

2019 ◽

Vol 25 (3) ◽

Cited By ~ 12

Author(s):

Ganesh Shahane ◽

Wei Ding ◽

Michail Palaiokostas ◽

Mario Orsi

Keyword(s):

Molecular Dynamics ◽

Physical Properties ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Dynamics Simulations

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Effects of Diacylglycerols (DAGS) and Arachidonic Acid (AA) on the Physical Properties of Model Lipid Bilayers: A Molecular Dynamics Simulations Study

Biophysical Journal ◽

10.1016/j.bpj.2013.11.4398 ◽

2014 ◽

Vol 106 (2) ◽

pp. 802a

Author(s):

Ioannis Beis ◽

Matti Weckström ◽

André Juffer ◽

Marja Hyvönen

Keyword(s):

Molecular Dynamics ◽

Arachidonic Acid ◽

Physical Properties ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Dynamics Simulations

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Cholesterol Interaction with the Trimeric HIV Fusion Protein gp41 in Lipid Bilayers Investigated by Solid-State NMR Spectroscopy and Molecular Dynamics Simulations

Journal of Molecular Biology ◽

10.1016/j.jmb.2020.06.017 ◽

2020 ◽

Vol 432 (16) ◽

pp. 4705-4721 ◽

Cited By ~ 2

Author(s):

Byungsu Kwon ◽

Taraknath Mandal ◽

Matthew R. Elkins ◽

Younghoon Oh ◽

Qiang Cui ◽

...

Keyword(s):

Molecular Dynamics ◽

Solid State ◽

Nmr Spectroscopy ◽

Fusion Protein ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Solid State Nmr ◽

Solid State Nmr Spectroscopy ◽

Protein Gp41 ◽

Dynamics Simulations

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Complexation of Mefenamic Acid by Low-Generation PAMAM Dendrimers: Insight from NMR Spectroscopy Studies and Molecular Dynamics Simulations

Macromolecular Chemistry and Physics ◽

10.1002/macp.201300398 ◽

2014 ◽

Vol 215 (4) ◽

pp. 372-383 ◽

Cited By ~ 10

Author(s):

Pabla A. Barra ◽

Luis Barraza ◽

Verónica A. Jiménez ◽

José A. Gavín ◽

Joel B. Alderete

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Molecular Dynamics Simulations ◽

Mefenamic Acid ◽

Pamam Dendrimers ◽

Spectroscopy Studies ◽

Dynamics Simulations

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Faculty Opinions recommendation of Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1014605.194151 ◽

2003 ◽

Author(s):

Bradley Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Hofmeister Effect ◽

Chaotropic Anions ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Human Islet Amyloid Polypeptide (IAPP) Oligomers and their Interactions with Lipid Bilayers

Biophysical Journal ◽

10.1016/j.bpj.2010.12.1308 ◽

2011 ◽

Vol 100 (3) ◽

pp. 200a-201a ◽

Cited By ~ 2

Author(s):

Jun Zhao ◽

Xiang Yu ◽

Chao Zhao ◽

Qiuming Wang ◽

Jie Zheng

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Islet Amyloid Polypeptide ◽

Human Islet ◽

Islet Amyloid ◽

Human Islet Amyloid Polypeptide ◽

Dynamics Simulations

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Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.1c00380 ◽

2021 ◽

Author(s):

Masatake Sugita ◽

Satoshi Sugiyama ◽

Takuya Fujie ◽

Yasushi Yoshikawa ◽

Keisuke Yanagisawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Membrane Permeability ◽

Lipid Bilayer ◽

Cyclic Peptides ◽

Large Scale ◽

Enhanced Sampling ◽

Permeability Prediction ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Human Beta-Defensin Type 3 Crossing Different Lipid Bilayers

ACS Omega ◽

10.1021/acsomega.1c01803 ◽

2021 ◽

Author(s):

Rabeta Yeasmin ◽

Ann Brewer ◽

Lela R Fine ◽

Liqun Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Lipid Bilayers ◽

Dynamics Simulations ◽

Type 3

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An Alamethicin Channel in a Lipid Bilayer: Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/s0006-3495(99)77337-6 ◽

1999 ◽

Vol 76 (4) ◽

pp. 1757-1769 ◽

Cited By ~ 136

Author(s):

D. Peter Tieleman ◽

Herman J.C. Berendsen ◽

Mark S.P. Sansom

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Dynamics Simulations

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1P242 1I1435 Analysis of the effect of water molecules on lipid bilayer dynamics in aqueous salt solutions using molecular dynamics simulations(Biol & Artifi memb.:Dynamics,Oral Presentations,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s62_2 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S62

Author(s):

Rina Kagawa ◽

Yoshinori Hirano ◽

Kenji Yasuoka ◽

Masato Yasui

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Annual Meeting ◽

Lipid Bilayer ◽

Water Molecules ◽

Salt Solutions ◽

Aqueous Salt Solutions ◽

Biophysical Society ◽

Dynamics Simulations ◽

Oral Presentations

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