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List of works by Irene Yarovsky

"Janus" cyclic peptides: a new approach to amyloid fibril inhibition?

scientific article

A Cyclic Peptide Inhibitor of ApoC-II Peptide Fibril Formation: Mechanistic Insight from NMR and Molecular Dynamics Analysis

article

A Structural Model for Apolipoprotein C-II Amyloid Fibrils: Experimental Characterization and Molecular Dynamics Simulations

scientific article published in February 2011

Adhesion between Graphite and Modified Polyester Surfaces: A Theoretical Study

scientific article published on 01 September 2005

Adsorption of atomic nitrogen and oxygen on \mathrm {ZnO(2\bar {1} \bar {1}0)} surface: a density functional theory study

scientific article published on 18 March 2009

Amphiphilic amino acids: a key to adsorbing proteins to nanopatterned surfaces?

article

Application of numerical basis sets to hydrogen bonded systems: A density functional theory study

scientific article published on 01 April 2005

Applications: general discussion

article

Bioelectromagnetics Research within an Australian Context: The Australian Centre for Electromagnetic Bioeffects Research (ACEBR)

scientific article

Classical Molecular Dynamics Study of [60]Fullerene Interactions with Silica and Polyester Surfaces

scientific article published on 01 August 2006

Cobalt Phosphate Nanostructures for Non-Enzymatic Glucose Sensing at Physiological pH

scientific article published on 27 November 2018

Cobalt-Directed Assembly of Antibodies onto Metal-Phenolic Networks for Enhanced Particle Targeting

scientific article published on 10 March 2020

Comparative Study of Commonly Used Molecular Dynamics Force Fields for Modeling Organic Monolayers on Water

scientific article published on 21 March 2011

Comparative study of insulin chain-B in isolated and monomeric environments under external stress.

scientific article published on 7 June 2008

Comparison of embedded atom method potentials for small aluminium cluster simulations ⬇️

scientific article published on March 18, 2009

Curved-Surface Atomic Modeling of Nanoporous Carbon

DFT Study of H Adsorption on Magnesium-Doped Aluminum Clusters

scientific article published on 01 March 2010

Density Functional Theory Study of Hydrogen Bonding in Ionic Molecular Materials

scientific article published on 01 October 2006

Designing Fluorescent Peptide Sensors with Dual Specificity for the Detection of HIV-1 Protease

scientific article

Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations

scientific article

Direct dry transfer of chemical vapor deposition graphene to polymeric substrates

scholarly article in Carbon, vol. 83, March 2015

Dissociative Adsorption of Hydrogen Molecule on Aluminum Clusters: Effect of Charge and Doping

scientific article published on 01 March 2009

Distinct Bimodal Roles of Aromatic Molecules in Controlling Gold Nanorod Growth for Biosensing

Dynamic Performance of Duolayers at the Air/Water Interface. 1. Experimental Analysis

scientific article published on 08 September 2014

Dynamic performance of duolayers at the air/water interface. 2. Mechanistic insights from all-atom simulations

scientific article published on 4 September 2014

Effect of Frequency on Insulin Response to Electric Field Stress

scientific article published on 02 May 2007

Effect of S Arrangement on Fe(110) Properties at 1/3 Monolayer Coverage: A DFT Study

scientific article published on 01 January 2006

Effect of Substrate on the Mechanical Response and Adhesion of PEGylated Surfaces: Insights from All-Atom Simulations

scientific article published on 04 December 2012

Effect of Sulfur Coverage on Fe(110) Adhesion: A DFT Study

scientific article published on 01 May 2005

Effect of external stresses on protein conformation: a computer modelling study.

scientific article published on 23 October 2003

Effect of oxidation and mutation on the conformational dynamics and fibril assembly of amyloidogenic peptides derived from apolipoprotein C-II.

scientific article published in October 2009

Effects of Size and Functionalization on the Structure and Properties of Graphene Oxide Nanoflakes: An in Silico Investigation

scientific article published on 20 September 2018

Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin

scientific article published on 12 October 2017

Effects of mutation on the amyloidogenic propensity of apolipoprotein C-II(60-70) peptide

scientific article published on 11 October 2010

Effects of oxidation, pH and lipids on amyloidogenic peptide structure: implications for fibril formation?

scientific article

Electric Field Effects on Insulin Chain-B Conformation

scientific article published on 01 December 2005

Electromagnetic field modulates aggregation propensity of amyloid peptides

scientific article published on 01 January 2020

Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides

scientific article published in February 2016

Exploring the binding sites and proton diffusion on insulin amyloid fibril surfaces by naphthol-based photoacid fluorescence and molecular simulations

scientific article published on 24 July 2017

Exploring the folding free energy landscape of insulin using bias exchange metadynamics

scientific article published in March 2009

Facet-Dependent Interactions of Islet Amyloid Polypeptide with Gold Nanoparticles: Implications for Fibril Formation and Peptide-Induced Lipid Membrane Disruption.

scientific article published on 13 February 2017

Fate of Liposomes in the Presence of Phospholipase C and D: From Atomic to Supramolecular Lipid Arrangement

scientific article published on 06 August 2018

First Principles Investigation of H Addition and Abstraction Reactions on Doped Aluminum Clusters

article

Gap Junction Hemichannel Interactions with Zwitterionic Lipid, Anionic Lipid, and Cholesterol: Molecular Simulation Studies

scientific article published on 02 February 2011

HRMC: Hybrid Reverse Monte Carlo method with silicon and carbon potentials

Hybrid approach for generating realistic amorphous carbon structure using metropolis and reverse Monte Carlo

Hydration Layer Structure of Biofouling-Resistant Nanoparticles

scientific article published on 25 October 2018

Hydrogen/Deuterium Exchange and Molecular Dynamics Analysis of Amyloid Fibrils Formed by a D69K Charge-Pair Mutant of Human Apolipoprotein C-II.

scientific article published on 21 July 2015

Identifying the Coiled-Coil Triple Helix Structure of β-Peptide Nanofibers at Atomic Resolution

scientific article published on 31 August 2018

Influence of Ionic Strength on the Deposition of Metal-Phenolic Networks.

scientific article published on 27 September 2017

Inhibition of peptide aggregation by lipids: Insights from coarse-grained molecular simulations

scientific article published on 11 November 2010

Interaction of hydrogen with ZnO nanopowders—evidence of hydroxyl group formation

scientific article published on 08 December 2011

Interaction of hydrogen with zinc oxide nanorods: why the spacing is important

scientific article published on 22 February 2011

Intra- and Intersubunit Ion-Pair Interactions Determine the Ability of Apolipoprotein C-II Mutants To Form Hybrid Amyloid Fibrils.

scientific article published on 23 February 2017

Layer-by-Layer Self-Assembly of Polymer Films and Capsules through Coiled-Coil Peptides

article published in 2015

Lipid Concentration Effects on the Amyloidogenic apoC-II60−70Peptide: A Computational Study

scientific article published on 01 June 2010

Lipids enhance apolipoprotein C-II-derived amyloidogenic peptide oligomerization but inhibit fibril formation.

scientific article

Long-range dipolar order and dispersion forces in polar liquids

scientific article published in November 2017

Metal-dependent inhibition of amyloid fibril formation: synergistic effects of cobalt–tannic acid networks

scientific article published in 2019

Microstructure of an industrial char by diffraction techniques and Reverse Monte Carlo modelling

Modular assembly of superstructures from polyphenol-functionalized building blocks

scientific article published on 10 October 2016

Molecular dynamics simulations of a fibrillogenic peptide derived from apolipoprotein C-II

scientific article published on 22 August 2007

Molecular interactions behind the synergistic effect in mixed monolayers of 1-octadecanol and ethylene glycol monooctadecyl ether

scientific article published on 22 March 2013

Molecular mapping of poly(methyl methacrylate) super-helix stereocomplexes.

scientific article published in December 2014

Molecular mechanism of stabilization of thin films for improved water evaporation protection

scientific article

Molecular rationale for the structure of cyclic poly(methyl methacrylate) stereocomplexes

Monolayer structure and evaporation resistance: a molecular dynamics study of octadecanol on water

scientific article published in March 2010

Monte Carlo based modeling of carbon nanostructured surfaces

scholarly article in Physical Review B, vol. 72 no. 12, September 2005

Nanomaterials in biological environment: a review of computer modelling studies.

scientific article published on 14 December 2010

Nanoscale in silico classification of ligand functionalised surfaces for protein adsorption resistance

scientific article published on 01 April 2020

Nanoscale wetting and fouling resistance of functionalized surfaces: a computational approach

scientific article published on 27 August 2014

Ordering surfaces on the nanoscale: implications for protein adsorption.

scientific article published on 5 January 2011

Particle engineering enabled by polyphenol-mediated supramolecular networks

scientific article published on 23 September 2020

Performance of numerical basis set DFT for aluminum clusters.

scientific article

Polymorphism in disease-related apolipoprotein C-II amyloid fibrils: a structural model for rod-like fibrils

scientific article published on 09 June 2018

Protein flexibility: Multiple molecular dynamics simulations of insulin chain B

article

Quantitative design rules for protein-resistant surface coatings using machine learning

scientific article published in Scientific Reports

Refinements in the collection of energy filtered diffraction patterns from disordered materials

scientific article published on 10 February 2005

Residue-Specific Solvation-Directed Thermodynamic and Kinetic Control over Peptide Self-Assembly with 1D/2D Structure Selection

scientific article published on 23 January 2019

Role of Hydrogen in Dimerizaton of Aluminum Clusters: A Theoretical Study

scientific article published on 02 June 2011

Single-Step Homogeneous Immunoassays Utilizing Epitope-Tagged Gold Nanoparticles: On the Mechanism, Feasibility, and Limitations

article by Heiko Andresen et al published 15 August 2014 in Chemistry of Materials

Solution Conditions Affect the Ability of the K30D Mutation To Prevent Amyloid Fibril Formation by Apolipoprotein C-II: Insights from Experiments and Theoretical Simulations.

scientific article published on 17 June 2016

Stereospecific Cyclic Poly(methyl methacrylate) and Its Topology-Guided Hierarchically Controlled Supramolecular Assemblies

scientific article published on 01 January 2014

Structural analysis of carbonaceous solids using an adapted reverse Monte Carlo algorithm

Surface Dynamics and Ligand-Core Interactions of Quantum Sized Photoluminescent Gold Nanoclusters

scientific article published on 17 December 2018

Surface defects on ZnO nanowires: implications for design of sensors

scientific article published on 19 June 2012

Surface enhanced Raman scattering artificial nose for high dimensionality fingerprinting

scientific article published on 10 January 2020

Surface heterogeneity: a friend or foe of protein adsorption - insights from theoretical simulations

scientific article published on 25 July 2016

Surface presentation of functional peptides in solution determines cell internalization efficiency of TAT conjugated nanoparticles

scientific article

Surface-water Interface Induces Conformational Changes Critical for Protein Adsorption: Implications for Monolayer Formation of EAS Hydrophobin

scientific article

Systematic comparison of empirical forcefields for molecular dynamic simulation of insulin.

scientific article

The structure of disordered carbon solids studied using a hybrid reverse Monte Carlo algorithm

Three-Dimensional Organization of Self-Encapsulating Gluconobacter oxydans Bacterial Cells.

scientific article published on 20 November 2017

Translocation of silica nanospheres through giant unilamellar vesicles (GUVs) induced by a high frequency electromagnetic field

scientific article published on 23 September 2021

Understanding and Designing the Gold-Bio Interface: Insights from Simulations

scientific article published on 23 March 2016

“Exact” surface free energies of iron surfaces using a modified embedded atom method potential and λ integration

scientific article published on 01 February 2004

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