Lista de obras - Dirk Gillespie - Dominio Público Uruguay

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

artículo científico publicado en 2005

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

artículo científico publicado en 2011

An Experimental Approach to Systematically Probe Charge Inversion in Nanofluidic Channels

artículo científico publicado en 2017

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

artículo científico publicado en 2010

Analytic theory for dilute colloids in a charged slit

artículo científico publicado en 2010

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

artículo científico publicado en 2011

Bubbles, gating, and anesthetics in ion channels

artículo científico publicado en 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

artículo científico publicado en 2012

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

artículo científico publicado en 2013

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

artículo científico publicado en 2011

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

Discretization of the induced-charge boundary integral equation.

artículo científico publicado en 2009

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

artículo científico publicado en 2011

Energetics of counterion adsorption in the electrical double layer.

artículo científico publicado en 2019

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

artículo científico publicado en 2007

Free-Energy Density Functional of Ions at a Dielectric Interface

artículo científico publicado en 2011

High Energy Conversion Efficiency in Nanofluidic Channels ⬇️

artículo científico publicado el 7 de febrero de 2012

Individual ion species chemical potentials in the Mean Spherical Approximation

artículo científico publicado en 2022

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

artículo científico publicado en 2008

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

artículo científico publicado en 2009

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

artículo científico publicado en 2012

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

artículo científico publicado en 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.

artículo científico publicado en 2017

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

artículo científico publicado en 2012

Physical descriptions of experimental selectivity measurements in ion channels

artículo científico publicado en 2002

Physics of size selectivity

artículo científico publicado en 2005

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

artículo científico publicado en 2009

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.

artículo científico publicado en 2009

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

artículo científico publicado en 2004

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

artículo científico publicado en 2021

Ryanodine receptor current amplitude controls Ca2+ sparks in cardiac muscle

artículo científico publicado en 2012

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

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

artículo científico publicado el 6 de marzo de 2011

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

artículo científico publicado en 2013

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

artículo científico publicado en 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

artículo científico publicado en 2008

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

artículo científico publicado en 2008

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

artículo científico publicado en 2012

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

artículo científico publicado en 2007

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

artículo científico publicado en 2008

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

artículo científico publicado en 2008

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

artículo científico publicado en 2019

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

artículo científico publicado en 2006

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado el 28 de enero de 2011

Tuning transport properties of nanofluidic devices with local charge inversion.

artículo científico publicado en 2009

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

artículo científico publicado en 2017

Volume exclusion in calcium selective channels.

artículo científico publicado en 2008

Lista de obras de Dirk Gillespie

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

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

An Experimental Approach to Systematically Probe Charge Inversion in Nanofluidic Channels

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

Analytic theory for dilute colloids in a charged slit

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

Bubbles, gating, and anesthetics in ion channels

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

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

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

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

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

Discretization of the induced-charge boundary integral equation.

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

Energetics of counterion adsorption in the electrical double layer.

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

Free-Energy Density Functional of Ions at a Dielectric Interface

High Energy Conversion Efficiency in Nanofluidic Channels ⬇️

Individual ion species chemical potentials in the Mean Spherical Approximation

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

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

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

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 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

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

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

Physical descriptions of experimental selectivity measurements in ion channels

Physics of size selectivity

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)]

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

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

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

Ryanodine receptor current amplitude controls Ca2+ sparks in cardiac muscle

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

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

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

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

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

Simulating diffusion from a cluster of point sources using propagation integrals

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

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

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.

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

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

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

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

Tuning transport properties of nanofluidic devices with local charge inversion.

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

Volume exclusion in calcium selective channels.