List of works - Dezső Boda

A generalized mean spherical approximation of the anomalies in the electrochemical double layer for strong ionic interactions

A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary

scientific article

A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences

An analytic solution for the magnetization of two-dimensional ferrofluids based on the mean spherical approximation

scientific article published on July 18, 2012

An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes

scientific article published in June 2010

An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids

Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method

scientific article

Anomalous temperature dependence of the differential capacitance in valence asymmetric electrolytes. Comparison of Monte Carlo simulation results and the field theoretical approach

article

Application of a bipolar nanopore as a sensor: rectification as an additional device function

scientific article published on 01 September 2019

Behavior of 2:1 and 3:1 Electrolytes at Polarizable Interfaces

Combined effect of pore radius and protein dielectric coefficient on the selectivity of a calcium channel

scientific article published in Physical Review Letters

Comment on "The Role of Concentration Dependent Static Permittivity of Electrolyte Solutions in the Debye-Hückel Theory"

scientific article published on 28 October 2015

Competition between the Effects of Asymmetries in Ion Diameters and Charges in an Electrical Double Layer Studied by Monte Carlo Simulations and Theories

article

Controlling ion transport through nanopores: modeling transistor behavior

Correction to the Clausius-Mosotti equation: The dielectric constant of nonpolar fluids from Monte Carlo simulations

scientific article published in October 2009

Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations.

scientific article published on 4 November 2011

Density Functional Study of a Simple Membrane Using the Solvent Primitive Model

article

Density functional theory of the electrical double layer: the RFD functional

Fluid–fluid equilibrium of a mixture of non-polar and dipolar hard spheres in an applied field

article published in 1996

Heat capacities of the dipolar Yukawa model polar fluid

article

Insights from theory and simulation on the electrical double layer.

scientific article

Ionic selectivity in L-type calcium channels by electrostatics and hard-core repulsion

scientific article published on May 2009

Ions and inhibitors in the binding site of HIV protease: comparison of Monte Carlo simulations and the linearized Poisson-Boltzmann theory

scientific article published on February 2009

Low temperature anomalies in the properties of the electrochemical interface

article published in 1999

Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models

scientific article published on 05 November 2020

Monte Carlo Simulation Study of a System with a Dielectric Boundary: Application to Calcium Channel Selectivity

article published in 2004

Monte Carlo simulation and renormalized perturbation theory study of the dielectric properties of mixtures of polarizable hard spheres and polarizable dipolar hard spheres

Monte Carlo simulation of an ion-dipole mixture as a model of an electrical double layer

article

Monte Carlo simulations of ion selectivity in a biological Na channel: Charge–space competition

article

Monte Carlo study of the capacitance of the double layer in a model molten salt

article

Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck

scientific article published on 01 April 2019

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo ⬇️

scientific article published on March 2017

Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations.

scientific article

On a conjecture of Fawcett

Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation

scientific article published on 01 February 2004

Protein structure and ionic selectivity in calcium channels: selectivity filter size, not shape, matters.

scientific article

Publisher's Note: "Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck" [J. Chem. Phys. 150, 144703 (2019)]

scientific article published on 01 May 2019

Rectification of bipolar nanopores in multivalent electrolytes: effect of charge inversion and strong ionic correlations

scientific article published on 19 August 2020

Relating Binding Affinity to Dynamical Selectivity from Dynamic Monte Carlo Simulations of a Model Calcium Channel

article

Relative permittivity of polar liquids. Comparison of theory, experiment, and simulation.

scientific article published in April 2005

Selective Adsorption of Ions with Different Diameter and Valence at Highly Charged Interfaces†

Simple Extension of a Field Theory Approach for the Description of the Double Layer Accounting for Excluded Volume Effects†

Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms

scientific article published in March 2008

Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes

article

Simulation of a model nanopore sensor: Ion competition underlies device behavior

scientific article published in December 2017

Simulation of an Electrical Double Layer Model with a Low Dielectric Layer between the Electrode and the Electrolyte ⬇️

scientific article published on September 14, 2011

Simulation of steady-state diffusion: driving force ensured by dual control volumes or local equilibrium Monte Carlo.

scientific article published in August 2012

Simulations of calcium channel block by trivalent cations: Gd(3+) competes with permeant ions for the selectivity filter

scientific article

Steady-State Electrodiffusion from the Nernst-Planck Equation Coupled to Local Equilibrium Monte Carlo Simulations

scientific article published on 10 February 2012

Steric selectivity in Na channels arising from protein polarization and mobile side chains.

scientific article

Structure of charged colloids under a wedge confinement

scientific article published on 01 September 2000

Synthetic nanopores as a test case for ion channel theories: the anomalous mole fraction effect without single filing

scientific article published on 4 April 2008

The anomalous mole fraction effect in calcium channels: a measure of preferential selectivity

scientific article published on 30 May 2008

The capacitance of the electrical double layer of valence-asymmetric salts at low reduced temperatures

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

scientific article published on 01 June 2014

The effect of protein dielectric coefficient on the ionic selectivity of a calcium channel

scientific article published in July 2006

The mean spherical approximation for a dipolar Yukawa fluid

The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations ⬇️

scientific article published on October 21, 2010

The role of solvation in the binding selectivity of the L-type calcium channel.

scientific article published in August 2013

Three-Dimensional Brownian Dynamics Simulator for the Study of Ion Permeation through Membrane Pores

scientific article published in August 2014

Tuning transport properties of nanofluidic devices with local charge inversion.

scientific article published on April 2009

Unraveling the behavior of the individual ionic activity coefficients on the basis of the balance of ion-ion and ion-water interactions

scientific article published on 12 January 2015

Vapour-liquid equilibrium of Stockmayer fluids in applied field

Volume exclusion in calcium selective channels.

scientific article published on 16 January 2008

List of works by Dezső Boda

A generalized mean spherical approximation of the anomalies in the electrochemical double layer for strong ionic interactions

A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary

A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences

An analytic solution for the magnetization of two-dimensional ferrofluids based on the mean spherical approximation

An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes

An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids

Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method

Anomalous temperature dependence of the differential capacitance in valence asymmetric electrolytes. Comparison of Monte Carlo simulation results and the field theoretical approach

Application of a bipolar nanopore as a sensor: rectification as an additional device function

Behavior of 2:1 and 3:1 Electrolytes at Polarizable Interfaces

Combined effect of pore radius and protein dielectric coefficient on the selectivity of a calcium channel

Comment on "The Role of Concentration Dependent Static Permittivity of Electrolyte Solutions in the Debye-Hückel Theory"

Competition between the Effects of Asymmetries in Ion Diameters and Charges in an Electrical Double Layer Studied by Monte Carlo Simulations and Theories

Controlling ion transport through nanopores: modeling transistor behavior

Correction to the Clausius-Mosotti equation: The dielectric constant of nonpolar fluids from Monte Carlo simulations

Current and selectivity in a model sodium channel under physiological conditions: Dynamic Monte Carlo simulations.

Density Functional Study of a Simple Membrane Using the Solvent Primitive Model

Density functional theory of the electrical double layer: the RFD functional

Fluid–fluid equilibrium of a mixture of non-polar and dipolar hard spheres in an applied field

Heat capacities of the dipolar Yukawa model polar fluid

Insights from theory and simulation on the electrical double layer.

Ionic selectivity in L-type calcium channels by electrostatics and hard-core repulsion

Ions and inhibitors in the binding site of HIV protease: comparison of Monte Carlo simulations and the linearized Poisson-Boltzmann theory

Low temperature anomalies in the properties of the electrochemical interface

Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models

Monte Carlo Simulation Study of a System with a Dielectric Boundary: Application to Calcium Channel Selectivity

Monte Carlo simulation and renormalized perturbation theory study of the dielectric properties of mixtures of polarizable hard spheres and polarizable dipolar hard spheres

Monte Carlo simulation of an ion-dipole mixture as a model of an electrical double layer

Monte Carlo simulations of ion selectivity in a biological Na channel: Charge–space competition

Monte Carlo study of the capacitance of the double layer in a model molten salt

Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo ⬇️

Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations.

On a conjecture of Fawcett

Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation

Protein structure and ionic selectivity in calcium channels: selectivity filter size, not shape, matters.

Publisher's Note: "Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck" [J. Chem. Phys. 150, 144703 (2019)]

Rectification of bipolar nanopores in multivalent electrolytes: effect of charge inversion and strong ionic correlations

Relating Binding Affinity to Dynamical Selectivity from Dynamic Monte Carlo Simulations of a Model Calcium Channel

Relative permittivity of polar liquids. Comparison of theory, experiment, and simulation.

Selective Adsorption of Ions with Different Diameter and Valence at Highly Charged Interfaces†

Simple Extension of a Field Theory Approach for the Description of the Double Layer Accounting for Excluded Volume Effects†

Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms

Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes

Simulation of a model nanopore sensor: Ion competition underlies device behavior

Simulation of an Electrical Double Layer Model with a Low Dielectric Layer between the Electrode and the Electrolyte ⬇️

Simulation of steady-state diffusion: driving force ensured by dual control volumes or local equilibrium Monte Carlo.

Simulations of calcium channel block by trivalent cations: Gd(3+) competes with permeant ions for the selectivity filter

Steady-State Electrodiffusion from the Nernst-Planck Equation Coupled to Local Equilibrium Monte Carlo Simulations

Steric selectivity in Na channels arising from protein polarization and mobile side chains.

Structure of charged colloids under a wedge confinement

Synthetic nanopores as a test case for ion channel theories: the anomalous mole fraction effect without single filing

The anomalous mole fraction effect in calcium channels: a measure of preferential selectivity

The capacitance of the electrical double layer of valence-asymmetric salts at low reduced temperatures

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

The effect of protein dielectric coefficient on the ionic selectivity of a calcium channel

The mean spherical approximation for a dipolar Yukawa fluid

The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations ⬇️

The role of solvation in the binding selectivity of the L-type calcium channel.

Three-Dimensional Brownian Dynamics Simulator for the Study of Ion Permeation through Membrane Pores

Tuning transport properties of nanofluidic devices with local charge inversion.

Unraveling the behavior of the individual ionic activity coefficients on the basis of the balance of ion-ion and ion-water interactions

Vapour-liquid equilibrium of Stockmayer fluids in applied field

Volume exclusion in calcium selective channels.