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Anisotropic Friction in a Ligand-Protein Complex

Nano letters, 2023-05, Vol.23 (10), p.4111-4119

2023

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Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes

ACS nano, 2017-10, Vol.11 (10), p.10462-10471

2017

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Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV‑2

ACS nano, 2020-04, Vol.14 (4), p.5143-5147

2020

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Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface

Applied surface science, 2019-10, Vol.491, p.707-722

2019

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Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

ACS nano, 2012-03, Vol.6 (3), p.2401-2409

2012

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Pressure‐driven homogenization of lithium disilicate glasses

Journal of the American Ceramic Society, 2024-07, Vol.107 (7), p.4572-4584

2024

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What Have We Learnt About the Mechanisms of Rapid Water Transport, Ion Rejection and Selectivity in Nanopores from Molecular Simulation?

Small (Weinheim an der Bergstrasse, Germany), 2014-04, Vol.10 (8), p.1453-1465

2014

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The Interplay of Ligand Properties and Core Size Dictates the Hydrophobicity of Monolayer-Protected Gold Nanoparticles

ACS nano, 2021-03, Vol.15 (3), p.4534-4545

2021

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Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

Acta materialia, 2014-04, Vol.68, p.1-8

2014

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Tuning the Mechanical Properties of Graphene Oxide Paper and Its Associated Polymer Nanocomposites by Controlling Cooperative Intersheet Hydrogen Bonding

ACS nano, 2012-03, Vol.6 (3), p.2008-2019

2012

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Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and Nanotubes

ACS nano, 2012-05, Vol.6 (5), p.3907-3918

2012

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Steering phase-separated droplets to control fibrillar network evolution of supramolecular peptide hydrogels

Matter, 2023-06, Vol.6 (6), p.1945-1963

2023

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Structural and dynamical studies of CH–π bonded CH4–C6H6 dimer by ultrafast intermolecular Coulombic decay

Nanotechnology, 2023-04, Vol.34 (16)

2023

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Noncovalent interactions of bovine trypsin with curcumin and effect on stability, structure, and function

Colloids and surfaces, B, Biointerfaces, 2019-11, Vol.183, p.110287-110287, Article 110287

2019

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Conformational Dynamics of Mechanically Compliant DNA Nanostructures from Coarse-Grained Molecular Dynamics Simulations

ACS nano, 2017-05, Vol.11 (5), p.4617-4630

2017

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Enhanced Binding of SARS-CoV‑2 Spike Protein to Receptor by Distal Polybasic Cleavage Sites

ACS nano, 2020-08, Vol.14 (8), p.10616-10623

2020

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Wettability of Graphene

Nano letters, 2013-04, Vol.13 (4), p.1509-1515

2013

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Capsaicin-loaded solid lipid nanoparticles: design, biodistribution, in silico modeling and in vitro cytotoxicity evaluation

Nanotechnology, 2021-02, Vol.32 (9), p.095101-095101

2021

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Sensing Solvents with Ultrasensitive Porous Poly(ionic liquid) Actuators

Advanced materials (Weinheim), 2015-05, Vol.27 (18), p.2913-2917

2015

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Conformation Dependence of Diphenylalanine Self-Assembly Structures and Dynamics: Insights from Hybrid-Resolution Simulations

ACS nano, 2019-04, Vol.13 (4), p.4455-4468

2019

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A novel supra coarse-grained model for cellulose

Cellulose (London), 2020-05, Vol.27 (8), p.4221-4234

2020

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Stress-Induced Structural Transformations in Au Nanocrystals

Nano letters, 2020-10, Vol.20 (10), p.7767-7773

2020

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Softened Elastic Response and Unzipping in Chemical Vapor Deposition Graphene Membranes

Nano letters, 2011-06, Vol.11 (6), p.2259-2263

2011

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Enhanced Oxygen Mobility in Undoped ZrO2–CeO2 Heterostructure

Physica status solidi. A, Applications and materials science, 2023-01, Vol.220 (1), p.n/a

2023

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Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

ACS nano, 2015-05, Vol.9 (5), p.5082-5092

2015

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Anisotropic Friction in a Ligand-Protein Complex

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes

Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV‑2

Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface

Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

Pressure‐driven homogenization of lithium disilicate glasses

What Have We Learnt About the Mechanisms of Rapid Water Transport, Ion Rejection and Selectivity in Nanopores from Molecular Simulation?

The Interplay of Ligand Properties and Core Size Dictates the Hydrophobicity of Monolayer-Protected Gold Nanoparticles

Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

Tuning the Mechanical Properties of Graphene Oxide Paper and Its Associated Polymer Nanocomposites by Controlling Cooperative Intersheet Hydrogen Bonding

Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and Nanotubes

Steering phase-separated droplets to control fibrillar network evolution of supramolecular peptide hydrogels

Structural and dynamical studies of CH–π bonded CH4–C6H6 dimer by ultrafast intermolecular Coulombic decay

Noncovalent interactions of bovine trypsin with curcumin and effect on stability, structure, and function

Conformational Dynamics of Mechanically Compliant DNA Nanostructures from Coarse-Grained Molecular Dynamics Simulations

Enhanced Binding of SARS-CoV‑2 Spike Protein to Receptor by Distal Polybasic Cleavage Sites

Wettability of Graphene

Capsaicin-loaded solid lipid nanoparticles: design, biodistribution, in silico modeling and in vitro cytotoxicity evaluation

Sensing Solvents with Ultrasensitive Porous Poly(ionic liquid) Actuators

Conformation Dependence of Diphenylalanine Self-Assembly Structures and Dynamics: Insights from Hybrid-Resolution Simulations

A novel supra coarse-grained model for cellulose

Stress-Induced Structural Transformations in Au Nanocrystals

Softened Elastic Response and Unzipping in Chemical Vapor Deposition Graphene Membranes

Enhanced Oxygen Mobility in Undoped ZrO2–CeO2 Heterostructure

Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

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