(Q47828652)

6 February 2018

title

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

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6 February 2018

Dirk Gillespie

3

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Dezső Boda

series ordinal

1

object named as

Dezső Boda

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6 February 2018

author name string

Douglas Henderson

series ordinal

2

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6 February 2018

language of work or name

English

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publication date

1 August 2013

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6 February 2018

Journal of Chemical Physics

published in

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6 February 2018

volume

139

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6 February 2018

issue

5

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6 February 2018

page(s)

055103

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6 February 2018

Electrostatic interactions in membranes and proteins

cites work

1 reference

Free energy calculations and ligand binding

21 January 2018

1 reference

Nonlinear electrical effects in lipid bilayer membranes. II. Integration of the generalized Nernst-Planck equations

21 January 2018

1 reference

Electrostatic calculations for an ion channel. I. Energy and potential profiles and interactions between ions

21 January 2018

1 reference

Electrostatic modeling of ion pores. Energy barriers and electric field profiles

21 January 2018

1 reference

Ion selectivity in potassium channels

21 January 2018

1 reference

Tuning ion coordination architectures to enable selective partitioning

21 January 2018

1 reference

A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge models

21 January 2018

1 reference

Importance of hydration and dynamics on the selectivity of the KcsA and NaK channels

21 January 2018

1 reference

Exploring the ion selectivity properties of a large number of simplified binding site models

21 January 2018

1 reference

Two mechanisms of ion selectivity in protein binding sites

21 January 2018

1 reference

Probing the thermodynamics of competitive ion binding using minimum energy structures

21 January 2018

1 reference

Ion binding sites and their representations by reduced models

21 January 2018

1 reference

Standard binding free energies from computer simulations: What is the best strategy?

21 January 2018

1 reference

Role of the dielectric constants of membrane proteins and channel water in ion permeation

21 January 2018

1 reference

Implicit solvation based on generalized Born theory in different dielectric environments

21 January 2018

1 reference

Anomalous mole fraction effect, electrostatics, and binding in ionic channels

21 January 2018

1 reference

Ion permeation and glutamate residues linked by Poisson-Nernst-Planck theory in L-type calcium channels

21 January 2018

1 reference

Binding and selectivity in L-type calcium channels: a mean spherical approximation.

21 January 2018

1 reference

Mass Action in Ionic Solutions

21 January 2018

1 reference

Ionic interactions are everywhere

21 January 2018

1 reference

Interacting ions in biophysics: real is not ideal

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Non-selective conductance in calcium channels of frog muscle: calcium selectivity in a single-file pore

21 January 2018

1 reference

Dielectric saturation of water in a membrane protein channel.

21 January 2018

1 reference

Study of ionic currents across a model membrane channel using Brownian dynamics

21 January 2018

1 reference

Permeation of ions across the potassium channel: Brownian dynamics studies

21 January 2018

1 reference

Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus brownian dynamics

21 January 2018

1 reference

Mechanisms of permeation and selectivity in calcium channels

21 January 2018

1 reference

Reservoir boundaries in Brownian dynamics simulations of ion channels

21 January 2018

1 reference

Recent advances in ion channel research

21 January 2018

1 reference

Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels

21 January 2018

1 reference

An accurate and efficient empirical approach for calculating the dielectric self-energy and ion-ion pair potential in continuum models of biological ion channels.

21 January 2018

1 reference

A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels

21 January 2018

1 reference

On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation

21 January 2018

1 reference

Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory

21 January 2018

1 reference

Volume exclusion in calcium selective channels.

21 January 2018

1 reference

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

21 January 2018

1 reference

Computing induced charges in inhomogeneous dielectric media: application in a Monte Carlo simulation of complex ionic systems

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids

21 January 2018

1 reference

PNP equations with steric effects: a model of ion flow through channels.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Monte Carlo Simulations of the Mechanism for Channel Selectivity: The Competition between Volume Exclusion and Charge Neutrality

21 January 2018

1 reference

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

21 January 2018

1 reference

Self-organized models of selectivity in calcium channels

21 January 2018

1 reference

Energy of an Ion crossing a Low Dielectric Membrane: Solutions to Four Relevant Electrostatic Problems

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4817205

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6 February 2018

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6 February 2018