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Modeling Polyzwitterion-Based Drug Delivery Platforms: A Perspective of the Current State-of-the-Art and Beyond

ACS Engineering Au, 2022-08, Vol.2 (4), p.274-294

2022

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Multicore Assemblies from Three-Component Linear Homo-Copolymer Systems: A Coarse-Grained Modeling Study

Polymers, 2021-06, Vol.13 (13), p.2193

2021

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Coil-to-globule transition of thermo-responsive γ-substituted poly (ɛ-caprolactone) in water: A molecular dynamics simulation study

Current Applied Physics, 2018, 18(11), , pp.1313-1319

2018

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A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene interface

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (41), p.27414-27427

2015

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Single core and multicore aggregates from a polymer mixture: A dissipative particle dynamics study

Journal of colloid and interface science, 2023-04, Vol.635, p.231-241

2023

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Copolyelectrolyte-Based Nanocapsules for Oral Monoclonal Antibody Therapy: A Mesoscale Modeling Survey

Biomacromolecules, 2022-09, Vol.23 (9), p.3875-3886

2022

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Dissipative particle dynamics simulations of H-shaped diblock copolymer self-assembly in solvent

Polymer (Guilford), 2021-10, Vol.233, p.124198, Article 124198

2021

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Controlling self-assembling co-polymer coatings of hydrophilic polysaccharide substrates via co-polymer block length ratio

Journal of colloid and interface science, 2023-06, Vol.640, p.809-819

2023

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Peripherally "tertiary butyl ester" functionalized bipyridine cored dendrons: from synthesis and characterization to molecular dynamic simulation study

New journal of chemistry, 2023-05, Vol.47 (18), p.8913-8924

2023

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Design Rules for Antibody Delivery by Self-Assembled Block-Copolyelectrolyte Nanocapsules

Macromolecules, 2022-04, Vol.55 (7), p.2383-2397

2022

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Molecular Modelling Guided Modulation of Molecular Shape and Charge for Design of Smart Self-Assembled Polymeric Drug Transporters

Pharmaceutics, 2021-01, Vol.13 (2), p.141

2021

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Hemilabile Binding of Acetylene in an Amide-Rich Ultramicroporous MOF Enables Strong Acetylene Selectivity

Inorganic chemistry, 2024-07, Vol.63 (27), p.12404-12408

2024

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Effect of particle surface corrugation on colloidal interactions

Journal of colloid and interface science, 2020-11, Vol.579, p.794-804

2020

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Effect of γ-substituted poly(ɛ-caprolactone) chain length on its coil-to-globule transition temperature in water: A molecular dynamics simulation study

Chemical physics, 2019-11, Vol.527, p.110506, Article 110506

2019

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Dual responsive PMEEECL-PAE block copolymers: a computational self-assembly and doxorubicin uptake study

RSC advances, 2020-01, Vol.1 (6), p.3233-3245

2020

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Effect of Polymorphism on the Sorption Properties of a Flexible Square-Lattice Topology Coordination Network

ACS applied materials & interfaces, 2024-04, Vol.16 (18), p.24132-24140

2024

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Shape‐Memory Effect Enabled by Ligand Substitution and CO2 Affinity in a Flexible SIFSIX Coordination Network

Angewandte Chemie International Edition, 2023-11, Vol.62 (47), p.e202309985-n/a

International ed. in English, 2023

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A comprehensive molecular dynamics study of a single polystyrene chain in a good solvent

Current Applied Physics, 2018, 18(1), , pp.68-78

2018

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A deep insight into the polystyrene chain in cyclohexane at theta temperature: molecular dynamics simulation and quantum chemical calculations

Journal of molecular modeling, 2019-07, Vol.25 (7), p.195-14, Article 195

2019

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Molecular dynamics simulation of polystyrene copolymer with octyl short-chain branches in toluene

Journal of molecular modeling, 2020-03, Vol.26 (4), p.80-80, Article 80

2020

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A quantitative correlation between polyethylene/graphene interfacial viscoelastic dissipation and deformation parameters: A molecular simulation study

International journal of adhesion and adhesives, 2018-08, Vol.84, p.54-62

2018

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Molecular Dynamics (MD) Simulation of Zwitterion-Functionalized PMMA with Hydrophilic and Antifouling Surface Characteristics

Macromolecular Research, 2019, 27(12), , pp.1200-1209

2019

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Anticancer Potential of Dendritic Poly(aryl ether)-Substituted Polypyridyl Ligand-Based Ruthenium(II) Coordination Entities

ACS applied bio materials, 2023-10, Vol.6 (10), p.4226-4239

2023

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A new insight into encapsulation process of a drug molecule in the polymer/surfactant system: a molecular simulation study

Structural chemistry, 2020-10, Vol.31 (5), p.2051-2062

2020

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Shape‐Memory Effect Enabled by Ligand Substitution and CO2 Affinity in a Flexible SIFSIX Coordination Network

Angewandte Chemie, 2023-11, Vol.135 (47), p.n/a

2023

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Modeling Polyzwitterion-Based Drug Delivery Platforms: A Perspective of the Current State-of-the-Art and Beyond

Multicore Assemblies from Three-Component Linear Homo-Copolymer Systems: A Coarse-Grained Modeling Study

Coil-to-globule transition of thermo-responsive γ-substituted poly (ɛ-caprolactone) in water: A molecular dynamics simulation study

A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene interface

Single core and multicore aggregates from a polymer mixture: A dissipative particle dynamics study

Copolyelectrolyte-Based Nanocapsules for Oral Monoclonal Antibody Therapy: A Mesoscale Modeling Survey

Dissipative particle dynamics simulations of H-shaped diblock copolymer self-assembly in solvent

Controlling self-assembling co-polymer coatings of hydrophilic polysaccharide substrates via co-polymer block length ratio

Peripherally "tertiary butyl ester" functionalized bipyridine cored dendrons: from synthesis and characterization to molecular dynamic simulation study

Design Rules for Antibody Delivery by Self-Assembled Block-Copolyelectrolyte Nanocapsules

Molecular Modelling Guided Modulation of Molecular Shape and Charge for Design of Smart Self-Assembled Polymeric Drug Transporters

Hemilabile Binding of Acetylene in an Amide-Rich Ultramicroporous MOF Enables Strong Acetylene Selectivity

Effect of particle surface corrugation on colloidal interactions

Effect of γ-substituted poly(ɛ-caprolactone) chain length on its coil-to-globule transition temperature in water: A molecular dynamics simulation study

Dual responsive PMEEECL-PAE block copolymers: a computational self-assembly and doxorubicin uptake study

Effect of Polymorphism on the Sorption Properties of a Flexible Square-Lattice Topology Coordination Network

Shape‐Memory Effect Enabled by Ligand Substitution and CO2 Affinity in a Flexible SIFSIX Coordination Network

A comprehensive molecular dynamics study of a single polystyrene chain in a good solvent

A deep insight into the polystyrene chain in cyclohexane at theta temperature: molecular dynamics simulation and quantum chemical calculations

Molecular dynamics simulation of polystyrene copolymer with octyl short-chain branches in toluene

A quantitative correlation between polyethylene/graphene interfacial viscoelastic dissipation and deformation parameters: A molecular simulation study

Molecular Dynamics (MD) Simulation of Zwitterion-Functionalized PMMA with Hydrophilic and Antifouling Surface Characteristics

Anticancer Potential of Dendritic Poly(aryl ether)-Substituted Polypyridyl Ligand-Based Ruthenium(II) Coordination Entities

A new insight into encapsulation process of a drug molecule in the polymer/surfactant system: a molecular simulation study

Shape‐Memory Effect Enabled by Ligand Substitution and CO2 Affinity in a Flexible SIFSIX Coordination Network

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