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Deciphering the Structure of the Gramicidin A Channel in the Presence of AOT Reverse Micelles in Pentane Using Molecular Dynamics Simulations

The journal of physical chemistry. B, 2020-12, Vol.124 (52), p.11802-11818

2020

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Modeling the Self-Aggregation of Small AOT Reverse Micelles from First-Principles

The journal of physical chemistry letters, 2015-01, Vol.6 (1), p.170-174

2015

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On the Structural and Dynamical Properties of DOPC Reverse Micelles

Langmuir, 2016-10, Vol.32 (41), p.10610-10620

2016

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Structure of Bolaamphiphile Sophorolipid Micelles Characterized with SAXS, SANS, and MD Simulations

The journal of physical chemistry. B, 2015-10, Vol.119 (41), p.13113-13133

2015

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Atomistic Simulations of the Surface Coverage of Large Gold Nanocrystals

Journal of physical chemistry. C, 2013-08, Vol.117 (34), p.17791-17800

2013

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Atomistic Simulation of Solubilization of Polycyclic Aromatic Hydrocarbons in a Sodium Dodecyl Sulfate Micelle

Langmuir, 2016-04, Vol.32 (15), p.3645-3654

2016

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Influence of Force-Field Parameters on the Atomistic Simulations of Metallic Surfaces and Nanoparticles

Journal of physical chemistry. C, 2017-12, Vol.121 (49), p.27758-27765

2017

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Molecular Dynamics Simulations of a Characteristic DPC Micelle in Water

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4610-4623

2012

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Atomistic Simulations of Self-Assembled Monolayers on Octahedral and Cubic Gold Nanocrystals

Journal of physical chemistry. C, 2015-09, Vol.119 (36), p.21146-21154

2015

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Self-assembly, interfacial properties, interactions with macromolecules and molecular modelling and simulation of microbial bio-based amphiphiles (biosurfactants). A tutorial review

Green chemistry : an international journal and green chemistry resource : GC, 2021-01, Vol.23 (11), p.3842-3944

2021

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Competitive solubilization of low-molecular-weight polycyclic aromatic hydrocarbons mixtures in single and binary surfactant micelles

Chemical engineering journal (Lausanne, Switzerland : 1996), 2014-05, Vol.244, p.522-530

2014

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Polyvinylpyrrolidone Behavior in Water/Ethanol Mixed Solvents: Comparison of Modeling Predictions with Experimental Results

Journal of solution chemistry, 2017-07, Vol.46 (7), p.1404-1417

2017

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Structural insights into the membrane receptor ShuA in DDM micelles and in a model of gram-negative bacteria outer membrane as seen by SAXS and MD simulations

Biochimica et biophysica acta. Biomembranes, 2021-02, Vol.1863 (2), p.183504-183504, Article 183504

2021

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Molecular Simulations of Dodecyl-β-maltoside Micelles in Water: Influence of the Headgroup Conformation and Force Field Parameters

The journal of physical chemistry. B, 2011-01, Vol.115 (3), p.487-499

2011

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Water Librations in the Hydration Shell of Phospholipids

The journal of physical chemistry letters, 2017-09, Vol.8 (18), p.4492-4497

2017

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Cosolubilization of phenanthrene and pyrene in surfactant micelles: Experimental and atomistic simulations studies

Journal of molecular liquids, 2018-08, Vol.263, p.1-9

2018

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Derivation of original RESP atomic partial charges for MD simulations of the LDAO surfactant with AMBER: applications to a model of micelle and a fragment of the lipid kinase PI4KA

Journal of biomolecular structure & dynamics, 2017-01, Vol.35 (1), p.159-181

2017

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Effect of Surfactant Conformation on the Structures of Small Size Nonionic Reverse Micelles: A Molecular Dynamics Simulation Study

Langmuir, 2006-10, Vol.22 (22), p.9112-9120

2006

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Bindings of hMRP1 transmembrane peptides with dodecylphosphocholine and dodecyl-β-d-maltoside micelles: A molecular dynamics simulation study

Biochimica et biophysica acta, 2014-01, Vol.1838 (1), p.493-509

2014

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Structure, Stability, and Hydration of a Polypeptide in AOT Reverse Micelles

Journal of the American Chemical Society, 2006-01, Vol.128 (2), p.382-383

2006

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Atomistic simulations of spontaneous formation and structural properties of linoleic acid micelles in water

Chemical physics letters, 2009-10, Vol.481 (1), p.124-129

2009

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Simulation of AOT reverse micelles with polyethylenimine in hexane

Colloid and polymer science, 2023-04, Vol.301 (4), p.283-291

2023

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Molecular Modeling and Simulations of AOT−Water Reverse Micelles in Isooctane: Structural and Dynamic Properties

The journal of physical chemistry. B, 2004-12, Vol.108 (50), p.19458-19466

2004

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Interactions of Urea and Trehalose with an Amyloidogenic Peptide Sequence from ß-Lactoglobulin

Biophysical journal, 2013-01, Vol.104 (2), p.392a-392a

2013

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Molecular dynamics simulations of cytochrome c unfolding in AOT reverse micelles: The first steps

The European physical journal. E, Soft matter and biological physics, 2010-08, Vol.32 (4), p.399-409

2010

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Deciphering the Structure of the Gramicidin A Channel in the Presence of AOT Reverse Micelles in Pentane Using Molecular Dynamics Simulations

Modeling the Self-Aggregation of Small AOT Reverse Micelles from First-Principles

On the Structural and Dynamical Properties of DOPC Reverse Micelles

Structure of Bolaamphiphile Sophorolipid Micelles Characterized with SAXS, SANS, and MD Simulations

Atomistic Simulations of the Surface Coverage of Large Gold Nanocrystals

Atomistic Simulation of Solubilization of Polycyclic Aromatic Hydrocarbons in a Sodium Dodecyl Sulfate Micelle

Influence of Force-Field Parameters on the Atomistic Simulations of Metallic Surfaces and Nanoparticles

Molecular Dynamics Simulations of a Characteristic DPC Micelle in Water

Atomistic Simulations of Self-Assembled Monolayers on Octahedral and Cubic Gold Nanocrystals

Self-assembly, interfacial properties, interactions with macromolecules and molecular modelling and simulation of microbial bio-based amphiphiles (biosurfactants). A tutorial review

Competitive solubilization of low-molecular-weight polycyclic aromatic hydrocarbons mixtures in single and binary surfactant micelles

Polyvinylpyrrolidone Behavior in Water/Ethanol Mixed Solvents: Comparison of Modeling Predictions with Experimental Results

Structural insights into the membrane receptor ShuA in DDM micelles and in a model of gram-negative bacteria outer membrane as seen by SAXS and MD simulations

Molecular Simulations of Dodecyl-β-maltoside Micelles in Water: Influence of the Headgroup Conformation and Force Field Parameters

Water Librations in the Hydration Shell of Phospholipids

Cosolubilization of phenanthrene and pyrene in surfactant micelles: Experimental and atomistic simulations studies

Derivation of original RESP atomic partial charges for MD simulations of the LDAO surfactant with AMBER: applications to a model of micelle and a fragment of the lipid kinase PI4KA

Effect of Surfactant Conformation on the Structures of Small Size Nonionic Reverse Micelles: A Molecular Dynamics Simulation Study

Bindings of hMRP1 transmembrane peptides with dodecylphosphocholine and dodecyl-β-d-maltoside micelles: A molecular dynamics simulation study

Structure, Stability, and Hydration of a Polypeptide in AOT Reverse Micelles

Atomistic simulations of spontaneous formation and structural properties of linoleic acid micelles in water

Simulation of AOT reverse micelles with polyethylenimine in hexane

Molecular Modeling and Simulations of AOT−Water Reverse Micelles in Isooctane: Structural and Dynamic Properties

Interactions of Urea and Trehalose with an Amyloidogenic Peptide Sequence from ß-Lactoglobulin

Molecular dynamics simulations of cytochrome c unfolding in AOT reverse micelles: The first steps

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