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Dynamics of various polymer-graphene interfacial systems through atomistic molecular dynamics simulations

Soft matter, 2014-04, Vol.1 (16), p.2876-2888

2014

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Structural and Dynamical Properties of Polyethylene/Graphene Nanocomposites through Molecular Dynamics Simulations

Polymers, 2015-03, Vol.7 (3), p.390-417

2015

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Complexation of single stranded RNA with an ionizable lipid: an all-atom molecular dynamics simulation study

Soft matter, 2020-08, Vol.16 (3), p.6993-75

2020

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Effects of the structure of lipid-based agents in their complexation with a single stranded mRNA fragment: a computational study

Soft matter, 2022-08, Vol.18 (33), p.6229-6245

2022

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Varying the degree of oxidation of graphite: effect of oxidation time and oxidant mass

Physical chemistry chemical physics : PCCP, 2024-03, Vol.26 (13), p.154-168

2024

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Self-Assembly of Phenylalanine-Leucine, Leucine-Phenylalanine, and Cyclo(-leucine-phenylalanine) Dipeptides through Simulations and Experiments

The journal of physical chemistry. B, 2023-05, Vol.127 (19), p.4208-4219

2023

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Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides

The journal of physical chemistry. B, 2013-04, Vol.117 (15), p.3962-3975

2013

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Investigating the complexation propensity of self-assembling dipeptides with the anticancer peptide-drug Bortezomib: a computational study

Soft matter, 2023-11, Vol.19 (45), p.8684-8697

2023

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Structural and Dynamical Properties of Polystyrene Thin Films Supported by Multiple Graphene Layers

Macromolecules, 2015-04, Vol.48 (8), p.2761-2772

2015

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Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2013-05, Vol.15 (5), p.1, Article 1589

2013

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Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments

The journal of physical chemistry. B, 2020-08, Vol.124 (33), p.7102-7114

2020

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Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Macromolecules, 2015-12, Vol.48 (24), p.9024-9038

2015

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Bound Layer Polymer Behavior on Graphene and Graphene Oxide Nanosheets

Macromolecules, 2020-08, Vol.53 (15), p.6190-6203

2020

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Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (43), p.23843-23854

2019

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Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (47), p.27645-27657

2020

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Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments

International journal of molecular sciences, 2021-05, Vol.22 (11), p.5931

2021

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Structure of amino acid sequence-reversed wtRop protein: insights from atomistic molecular dynamics simulations

Journal of biomolecular structure & dynamics, 2023-09, p.1-15

2023

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The Role of Oxidation Pattern and Water Content in the Spatial Arrangement and Dynamics of Oxidized Graphene-Based Aqueous Dispersions

International journal of molecular sciences, 2022-11, Vol.23 (21), p.13459

2022

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Therapeutic stapled peptides: Efficacy and molecular targets

Pharmacological research, 2024-05, Vol.203, p.107137-107137, Article 107137

2024

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Exploring the Origins of Association of Poly(acrylic acid) Polyelectrolyte with Lysozyme in Aqueous Environment through Molecular Simulations and Experiments

Polymers, 2024-09, Vol.16 (18), p.2565

2024

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Structural and Conformational Properties of Poly(ethylene oxide)/Silica Nanocomposites: Effect of Confinement

Macromolecules, 2017-08, Vol.50 (16), p.6273-6284

2017

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Dynamics and Structure of Monolayer Polymer Crystallites on Graphene

Nano letters, 2016-11, Vol.16 (11), p.6994-7000

2016

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Effect of macromolecular architecture on the self-assembly behavior of copolymers in a selective polymer host

Soft matter, 2018, Vol.14 (47), p.9562-9570

2018

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Morphology and Dynamics in Hydrated Graphene Oxide/Branched Poly(ethyleneimine) Nanocomposites: An In Silico Investigation

Nanomaterials (Basel, Switzerland), 2023-06, Vol.13 (12), p.1865

2023

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A Molecular Dynamics Study of Polymer/Graphene Nanocomposites

Macromolecular symposia., 2013-10, Vol.331-332 (1), p.43-49

2013

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Dynamics of various polymer-graphene interfacial systems through atomistic molecular dynamics simulations

Structural and Dynamical Properties of Polyethylene/Graphene Nanocomposites through Molecular Dynamics Simulations

Complexation of single stranded RNA with an ionizable lipid: an all-atom molecular dynamics simulation study

Effects of the structure of lipid-based agents in their complexation with a single stranded mRNA fragment: a computational study

Varying the degree of oxidation of graphite: effect of oxidation time and oxidant mass

Self-Assembly of Phenylalanine-Leucine, Leucine-Phenylalanine, and Cyclo(-leucine-phenylalanine) Dipeptides through Simulations and Experiments

Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides

Investigating the complexation propensity of self-assembling dipeptides with the anticancer peptide-drug Bortezomib: a computational study

Structural and Dynamical Properties of Polystyrene Thin Films Supported by Multiple Graphene Layers

Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations

Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Bound Layer Polymer Behavior on Graphene and Graphene Oxide Nanosheets

Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion

Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations

Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments

Structure of amino acid sequence-reversed wtRop protein: insights from atomistic molecular dynamics simulations

The Role of Oxidation Pattern and Water Content in the Spatial Arrangement and Dynamics of Oxidized Graphene-Based Aqueous Dispersions

Therapeutic stapled peptides: Efficacy and molecular targets

Exploring the Origins of Association of Poly(acrylic acid) Polyelectrolyte with Lysozyme in Aqueous Environment through Molecular Simulations and Experiments

Structural and Conformational Properties of Poly(ethylene oxide)/Silica Nanocomposites: Effect of Confinement

Dynamics and Structure of Monolayer Polymer Crystallites on Graphene

Effect of macromolecular architecture on the self-assembly behavior of copolymers in a selective polymer host

Morphology and Dynamics in Hydrated Graphene Oxide/Branched Poly(ethyleneimine) Nanocomposites: An In Silico Investigation

A Molecular Dynamics Study of Polymer/Graphene Nanocomposites

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