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List of works by Dirk Gillespie

(De)constructing the ryanodine receptor: modeling ion permeation and selectivity of the calcium release channel.

scientific article published on August 2005

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

scientific article

An Experimental Approach to Systematically Probe Charge Inversion in Nanofluidic Channels

scientific article published on 21 December 2017

An efficient algorithm for classical density functional theory in three dimensions: ionic solutions.

scientific article

Analytic theory for dilute colloids in a charged slit

scientific article published in April 2010

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

scientific article

Bubbles, gating, and anesthetics in ion channels

scientific article published on 30 January 2008

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

scientific article published in Physical Review Letters

Comparison of three-dimensional poisson solution methods for particle-based simulation and inhomogeneous dielectrics

scientific article published on 12 July 2012

Computing the partition function, ensemble averages, and density of states for lattice spin systems by sampling the mean.

scientific article published on October 2013

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

scientific article published on 4 November 2011

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

Discretization of the induced-charge boundary integral equation.

scientific article published on 06 July 2009

Efficiently accounting for ion correlations in electrokinetic nanofluidic devices using density functional theory

scientific article published on 02 April 2011

Energetics of counterion adsorption in the electrical double layer.

scientific article published in April 2019

Energetics of divalent selectivity in a calcium channel: the ryanodine receptor case study

scientific article

Free-Energy Density Functional of Ions at a Dielectric Interface

scientific article published on 28 April 2011

High Energy Conversion Efficiency in Nanofluidic Channels ⬇️

scientific article published on 07 February 2012

Individual ion species chemical potentials in the Mean Spherical Approximation

scientific article published in 2022

Intracellular calcium release channels mediate their own countercurrent: the ryanodine receptor case study.

scientific article published on 11 July 2008

Ion Correlations in Nanofluidic Channels: Effects of Ion Size, Valence, and Concentration on Voltage- and Pressure-Driven Currents ⬇️

scientific article published on January 15, 2013

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

Is ryanodine receptor a calcium or magnesium channel? Roles of K+ and Mg2+ during Ca2+ release.

scientific article

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 of the electric double layer: dielectric boundaries and the effects of induced charge

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: explicit-water versus implicit-water simulations.

scientific article

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem

scientific article published on 16 February 2012

Physical descriptions of experimental selectivity measurements in ion channels

scientific article published on 16 July 2002

Physics of size selectivity

scientific article published on 9 December 2005

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

Reinterpreting the anomalous mole fraction effect: the ryanodine receptor case study.

scientific article published on October 2009

Relating microscopic charge movement to macroscopic currents: the Ramo-Shockley theorem applied to ion channels

scientific article

Revisiting the Charged Shell Model: A Density Functional Theory for Electrolytes

scientific article published on 30 March 2021

Ryanodine receptor current amplitude controls Ca2+ sparks in cardiac muscle

scientific article published on 24 May 2012

Sarcoplasmic reticulum Ca2+, Mg2+, K+, and Cl- concentrations adjust quickly as heart rate changes

scientific article published on 30 November 2016

Sarcoplasmic reticulum K(+) (TRIC) channel does not carry essential countercurrent during Ca(2+) release

scientific article published on September 2013

Selectivity sequences in a model calcium channel: role of electrostatic field strength ⬇️

scientific article published on March 6, 2011

Separation of ions in nanofluidic channels with combined pressure-driven and electro-osmotic flow

scientific article published on 14 February 2013

Sieving experiments and pore diameter: it's not a simple relationship

scientific article published on 11 May 2010

Simulating diffusion from a cluster of point sources using propagation integrals

scientific article published on 01 June 2020

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

scientific article published in March 2008

Singular perturbation analysis of the steady-state Poisson-Nernst-Planck system: Applications to ion channels

scientific article published on January 2008

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

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 binding interactions that maintain excitation-contraction coupling junctions in skeletal muscle

scientific article published on 06 February 2019

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

scientific article published in July 2006

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

Toward making the mean spherical approximation of primitive model electrolytes analytic: An analytic approximation of the MSA screening parameter ⬇️

scientific article published on January 28, 2011

Tuning transport properties of nanofluidic devices with local charge inversion.

scientific article published on April 2009

Two-Dimensional Electric Double Layer Structure with Heterogeneous Surface Charge.

scientific article

Volume exclusion in calcium selective channels.

scientific article published on 16 January 2008

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