Self-Assembled Micellar Structures of Lipopeptides with Variable Number of Attached Lipid Chains Revealed by Atomistic Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b07877 ◽

2018 ◽

Vol 122 (41) ◽

pp. 9605-9615

Author(s):

Liang Zhao ◽

Yusong Tu ◽

Haiping Fang ◽

Ian W. Hamley ◽

Zuowei Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Variable Number ◽

Self Assembled ◽

Dynamics Simulations

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Prediction of Protein Adsorption on Self-Assembled Monolayers of Functionalized Alkanethiols on Gold Electrode from Molecular Dynamics Simulations

The International Journal of Biological Markers ◽

10.1177/172460080902400333 ◽

2009 ◽

Vol 24 (3) ◽

pp. 207-207

Author(s):

Dean Cerin ◽

Radovan Toth ◽

Vladimir Frecer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Protein Adsorption ◽

Gold Electrode ◽

Self Assembled Monolayers ◽

Assembled Monolayers ◽

Self Assembled ◽

Dynamics Simulations

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Studies of Cardio Toxin Protein Adsorption on Mixed Self-Assembled Monolayers Using Molecular Dynamics Simulations

Molecular Dynamics - Studies of Synthetic and Biological Macromolecules ◽

10.5772/36764 ◽

2012 ◽

Author(s):

Shih-Wei Hung ◽

Pai-Yi Hsiao ◽

Ching-Chang Chieng

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Protein Adsorption ◽

Self Assembled Monolayers ◽

Assembled Monolayers ◽

Toxin Protein ◽

Self Assembled ◽

Dynamics Simulations

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Effect of the environment on the stability of surfactant-polypeptide self-assembled complexes: Molecular dynamics simulations of stoichiometric complexes formed byN-dodecyltrimethylammonium and poly(α,L-glutamate) in chloroform, methanol, and water

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.20767 ◽

2006 ◽

Vol 44 (7) ◽

pp. 1122-1133 ◽

Author(s):

David Zanuy ◽

Carlos Alemán

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Assembled Complexes ◽

Self Assembled ◽

The Stability ◽

Dynamics Simulations ◽

Chloroform Methanol

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Adaptive Load-Balancing for Force-Decomposition Based 3-Body Molecular Dynamics Simulations in A Heterogeneous Distributed Environment with Variable Number of Processors

2007 International Conference on Parallel Processing (ICPP 2007) ◽

10.1109/icpp.2007.11 ◽

2007 ◽

Author(s):

J.V. Sumanth ◽

David R. Swanson ◽

Hong Jiang

Keyword(s):

Molecular Dynamics ◽

Load Balancing ◽

Molecular Dynamics Simulations ◽

Variable Number ◽

Distributed Environment ◽

Dynamics Simulations ◽

Force Decomposition

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Molecular Dynamics Simulations of Self-Assembled Polyethylene-Hexagonal Boron Nitride Composite and Its Thermal Conductivity

2019 7th International Renewable and Sustainable Energy Conference (IRSEC) ◽

10.1109/irsec48032.2019.9078254 ◽

2019 ◽

Author(s):

One-Sun Lee ◽

Mehamed Ali ◽

Abdelnasser Mabrouk ◽

Ahmed Abdala

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Boron Nitride ◽

Molecular Dynamics Simulations ◽

Hexagonal Boron Nitride ◽

Self Assembled ◽

Dynamics Simulations

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Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer

Physical Chemistry Chemical Physics ◽

10.1039/b923858c ◽

2010 ◽

Vol 12 (17) ◽

pp. 4435 ◽

Author(s):

Yue Zhang ◽

George L. Barnes ◽

Tianying Yan ◽

William L. Hase

Keyword(s):

Heat Transfer ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Gold Surface ◽

Self Assembled Monolayer ◽

Self Assembled ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Hydrophobic-induced surface reorganization: molecular dynamics simulations of water nanodroplets on perfluorocarbon self-assembled monolayers

Soft Matter ◽

10.1039/b923392j ◽

2010 ◽

Vol 6 (8) ◽

pp. 1644 ◽

Author(s):

Sung Hyun Park ◽

Marcelo A. Carignano ◽

Rikkert J. Nap ◽

Igal Szleifer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Self Assembled Monolayers ◽

Assembled Monolayers ◽

Self Assembled ◽

Dynamics Simulations

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Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations

International Journal of Quantum Chemistry ◽

10.1002/qua.24108 ◽

2012 ◽

Vol 113 (4) ◽

pp. 397-400 ◽

Author(s):

Jun Koseki ◽

Yukiumi Kita ◽

Shuichi Hiraoka ◽

Umpei Nagashima ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Temperature Dependence ◽

Molecular Dynamics Simulations ◽

Molecular Capsules ◽

Self Assembled ◽

Dynamics Simulations

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Molecular dynamics simulations of friction in self-assembled monolayers

Thin Solid Films ◽

10.1016/0040-6090(94)90317-4 ◽

1994 ◽

Vol 253 (1-2) ◽

pp. 185-189 ◽

Author(s):

Kenneth J. Tupper ◽

Donald W. Brenner

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Self Assembled Monolayers ◽

Assembled Monolayers ◽

Self Assembled ◽

Dynamics Simulations

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Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations

Micron ◽

10.1016/j.micron.2012.09.007 ◽

2013 ◽

Vol 44 ◽

pp. 410-418 ◽

Author(s):

Cheng-Da Wu ◽

Te-Hua Fang ◽

Jen-Fin Lin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Self Assembled Monolayer ◽

Self Assembled ◽

Dynamics Simulations

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