Atomistic simulations of pH-dependent self-assembly of micelle and bilayer from fatty acids. (Q36453895)

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18 February 2020

title

Atomistic simulations of pH-dependent self-assembly of micelle and bilayer from fatty acids (English)

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18 February 2020

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1

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18 February 2020

author name string

Peter H Koenig

series ordinal

2

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18 February 2020

Jana K Shen

series ordinal

3

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18 February 2020

language of work or name

English

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publication date

1 November 2012

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Journal of Chemical Physics

18 February 2020

published in

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18 February 2020

volume

137

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18 February 2020

issue

19

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18 February 2020

page(s)

194902

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Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange

18 February 2020

cites work

1 reference

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Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

30 September 2017

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Unraveling A Trap-and-Trigger Mechanism in the pH-Sensitive Self-Assembly of Spider Silk Proteins

30 September 2017

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Predicting pKa values with continuous constant pH molecular dynamics

30 September 2017

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30 September 2017

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Constant pH molecular dynamics with proton tautomerism

30 September 2017

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

30 September 2017

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Molecular dynamics simulation of n-dodecyl phosphate aggregate structures

30 September 2017

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Canonical dynamics: Equilibrium phase-space distributions

30 September 2017

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Ionization and phase behavior of fatty acids in water: application of the Gibbs phase rule

30 September 2017

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Liposomes from ionic, single-chain amphiphiles

30 September 2017

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Solvation of sodium octanoate micelles in concentrated urea solution studied by means of molecular dynamics simulations

30 September 2017

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Fusion-relevant changes in lipid shape of hydrated cholesterol hemisuccinate induced by pH and counterion species

28 June 2018

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pH-Triggered Release from Nonphospholipid LUVs Modulated by the pKa of the Included Fatty Acid

28 June 2018

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Polymerizable vesicles based on a single-tailed fatty acid surfactant: a simple route to robust nanocontainers

28 June 2018

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From decanoate micelles to decanoic acid/dodecylbenzenesulfonate vesicles

28 June 2018

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Self-assembled vesicles of monocarboxylic acids and alcohols: conditions for stability and for the encapsulation of biopolymers

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Generalized born model with a simple smoothing function.

21 January 2018

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Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent model.

21 January 2018

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

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Molecular dynamics simulation of self-assembly of n-decyltrimethylammonium bromide micelles

21 January 2018

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Probing the strand orientation and registry alignment in the propagation of amyloid fibrils

21 January 2018

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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

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Free Energy of Ionic Hydration

21 January 2018

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Preparation and properties of vesicles enclosed by fatty acid membranes

21 January 2018

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12 December 2020

Using molecular dynamics to study liquid phase behavior: simulations of the ternary sodium laurate/sodium oleate/water system

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12 December 2020

Constant-pH molecular dynamics using continuous titration coordinates

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12 December 2020

Simulating pH titration of a single surfactant in ionic and nonionic surfactant micelles

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12 December 2020

pH-sensitive liposomes: possible clinical implications

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12 December 2020

Identifiers

DOI

10.1063/1.4766313

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23181330%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

1 reference

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18 February 2020

PubMed publication ID

23181330

1 reference