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Impact of ion content and electric field on mechanical properties of coarse-grained ionomers

The Journal of chemical physics, 2018-10, Vol.149 (16), p.163313

2018

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Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations

npj computational materials, 2020-04, Vol.6 (1), Article 34

2020

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Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations

Molecular physics, 2019-12, Vol.117 (23-24), p.3642-3650

2019

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PEGylation of Insulin and Lysozyme To Stabilize against Thermal Denaturation: A Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2023-08, Vol.127 (31), p.6856-6866

2023

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Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution

Chemistry of materials, 2020-10, Vol.32 (19), p.8043-8059

2020

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Structure, Dynamics, and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay between Free Volume Element Distribution and Local Segmental Dynamics from Molecular Dynamics Simulations

Macromolecules, 2023-11, Vol.56 (22), p.9042-9053

2023

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Molecular Driving Forces in the Self‐Association of Silaffin Peptide R5 from MD Simulations

Chembiochem : a European journal of chemical biology, 2024-06, Vol.25 (11), p.e202300788-n/a

2024

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Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst

Chem catalysis, 2021-07, Vol.1 (2), p.437-455

2021

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Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution

Chemistry of materials, 2020-08, Vol.32 (19)

2020

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Impact of ionic aggregate structure on ionomer mechanical properties fromcoarse-grained molecular dynamics simulations

The Journal of chemical physics, 2017-10, Vol.147 (13)

2017

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Influence of a nanoparticle on the structure and dynamics of model ionomer meltsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8sm00665b

2018-06

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Ionomer Interfacial Behavior from Molecular Dynamics Simulations: Impact of Ion Content on Interfacial Structure and Mixing

Macromolecules, 2023-12, Vol.56 (23), p.9888-9895

2023

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Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations

The Journal of chemical physics, 2017-10, Vol.147 (13), p.134901-134901

2017

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Exploring structure and dynamics of the polylactic‐co‐glycolic acid–polyethylene glycol copolymer and its homopolymer constituents in various solvents using all‐atom molecular dynamics

Journal of applied polymer science, 2022-08, Vol.139 (31), p.n/a

2022

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Effect of Neutralization on the Structure and Dynamics of Model Ionomer Melts

Macromolecules, 2018-01, Vol.51 (2), p.626-637

2018

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MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids

The journal of physical chemistry. B, 2020-09, Vol.124 (36), p.7745-7764

2020

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Influence of a nanoparticle on the structure and dynamics of model ionomer melts

Soft matter, 2018, Vol.14 (22), p.4621-4632

2018

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Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces

Langmuir, 2019-04, Vol.35 (17), p.5911-5920

2019

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Phase transition of recombinant fusion protein assemblies in macromolecularly crowded conditions

Materials advances, 2024-05, Vol.5 (1), p.42-428

2024

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Impact of crystalline domains on long‐term stability and mechanical performance of anisotropic silk fibroin sponges

Journal of biomedical materials research. Part A, 2024-09, Vol.112 (9), p.1451-1471

2024

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Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations

Langmuir, 2020-09, Vol.36 (35), p.10341-10350

2020

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Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces

Journal of the American Chemical Society, 2019-02, Vol.141 (5), p.1998-2011

2019

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Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets

Biomacromolecules, 2022-03, Vol.23 (3), p.992-1008

2022

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Evolution of free volume elements in amorphous polymers undergoing uniaxial deformation: a molecular dynamics simulations study

Molecular systems design & engineering, 2024-02, Vol.9 (2), p.214-225

2024

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Studies of Dynamic Binding of Amino Acids to TiO 2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations

Langmuir, 2020-09, Vol.36 (35), p.10341-10350

2020

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Impact of ion content and electric field on mechanical properties of coarse-grained ionomers

Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations

Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations

PEGylation of Insulin and Lysozyme To Stabilize against Thermal Denaturation: A Molecular Dynamics Simulation Study

Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution

Structure, Dynamics, and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay between Free Volume Element Distribution and Local Segmental Dynamics from Molecular Dynamics Simulations

Molecular Driving Forces in the Self‐Association of Silaffin Peptide R5 from MD Simulations

Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst

Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution

Impact of ionic aggregate structure on ionomer mechanical properties fromcoarse-grained molecular dynamics simulations

Influence of a nanoparticle on the structure and dynamics of model ionomer meltsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8sm00665b

Ionomer Interfacial Behavior from Molecular Dynamics Simulations: Impact of Ion Content on Interfacial Structure and Mixing

Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations

Exploring structure and dynamics of the polylactic‐co‐glycolic acid–polyethylene glycol copolymer and its homopolymer constituents in various solvents using all‐atom molecular dynamics

Effect of Neutralization on the Structure and Dynamics of Model Ionomer Melts

MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids

Influence of a nanoparticle on the structure and dynamics of model ionomer melts

Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces

Phase transition of recombinant fusion protein assemblies in macromolecularly crowded conditions

Impact of crystalline domains on long‐term stability and mechanical performance of anisotropic silk fibroin sponges

Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations

Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces

Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets

Evolution of free volume elements in amorphous polymers undergoing uniaxial deformation: a molecular dynamics simulations study

Studies of Dynamic Binding of Amino Acids to TiO 2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations

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