Ionic interactions in biological and physical systems: a variational treatment (Q47628412)

4 February 2018

title

Ionic interactions in biological and physical systems: a variational treatment (English)

1 reference

4 February 2018

author name string

Bob Eisenberg

series ordinal

1

1 reference

4 February 2018

publication date

1 January 2013

1 reference

4 February 2018

published in

Faraday Discussions

1 reference

4 February 2018

volume

160

1 reference

4 February 2018

page(s)

279-96; discussion 311-27

1 reference

4 February 2018

What is "liquid"? Understanding the states of matter

cites work

1 reference

Multiple Scales in the Simulation of Ion Channels and Proteins

21 January 2018

1 reference

A transferable ab initio based force field for aqueous ions.

21 January 2018

1 reference

Second-order Poisson–Nernst–Planck solver for ion transport

21 January 2018

1 reference

A molecular Debye-Hückel theory and its applications to electrolyte solutions.

21 January 2018

1 reference

Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvat

21 January 2018

1 reference

Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

21 January 2018

1 reference

Primitive models of ions in solution from molecular descriptions: a perturbation approach

21 January 2018

1 reference

Aqueous alkali halide solutions: can osmotic coefficients be explained on the basis of the ionic sizes alone?

21 January 2018

1 reference

Ion-specific excluded-volume correlations and solvation forces

21 January 2018

1 reference

The behavior of ions near a charged wall-dependence on ion size, concentration, and surface charge

21 January 2018

1 reference

Ion-specific thermodynamics of multicomponent electrolytes: a hybrid HNC/MD approach

21 January 2018

1 reference

Monte Carlo simulations of salt solutions: exploring the validity of primitive models

21 January 2018

1 reference

Ions at aqueous interfaces: from water surface to hydrated proteins

21 January 2018

1 reference

Continuum molecular electrostatics, salt effects, and counterion binding--a review of the Poisson-Boltzmann theory and its modifications

21 January 2018

1 reference

Volume exclusion in calcium selective channels.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Equation of State Calculations by Fast Computing Machines

21 January 2018

1 reference

Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.

21 January 2018

1 reference

Equation of state and correlation functions of strongly coupled plasma mixtures: Density functional theory and analytic models.

21 January 2018

1 reference

Computation of methodology-independent ionic solvation free energies from molecular simulations. II. The hydration free energy of the sodium cation

21 January 2018

1 reference

Development of a lattice-sum method emulating nonperiodic boundary conditions for the treatment of electrostatic interactions in molecular simulations: a continuum-electrostatics study.

21 January 2018

1 reference

Computation of methodology-independent ionic solvation free energies from molecular simulations. I. The electrostatic potential in molecular liquids.

21 January 2018

1 reference

On the nature of ions at the liquid water surface

21 January 2018

1 reference

Molecular basis of the apparent near ideality of urea solutions

21 January 2018

1 reference

Double-layer in ionic liquids: paradigm change?

21 January 2018

1 reference

Electrostatic free energy and its variations in implicit solvent models

21 January 2018

1 reference

Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations

21 January 2018

1 reference

Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method.

21 January 2018

1 reference

Insights from theory and simulation on the electrical double layer.

21 January 2018

1 reference

Testing a modified model of the Poisson-Boltzmann theory that includes ion size effects through Monte Carlo simulations.

21 January 2018

1 reference

Interplay between the transport of solutes across nanofiltration membranes and the thermal properties of the thin active layer

21 January 2018

1 reference

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.

21 January 2018

1 reference

Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength.

21 January 2018

1 reference

Dielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative Approach

21 January 2018

1 reference

Mass action in ionic solutions

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

Poisson–Boltzmann–Nernst–Planck model

21 January 2018

1 reference

Fluctuations and Irreversible Process. II. Systems with Kinetic Energy

21 January 2018

1 reference

Reciprocal Relations in Irreversible Processes. II

21 January 2018

1 reference

Reciprocal Relations in Irreversible Processes. I

21 January 2018

1 reference

Fluctuations and Irreversible Processes

21 January 2018

1 reference

Variational approach for electrolyte solutions: from dielectric interfaces to charged nanopores

21 January 2018

1 reference

Differential geometry based multiscale models

21 January 2018

1 reference

Analysis and Simulation of Semiconductor Devices

21 January 2018

1 reference

Transport of ions of one kind through thin membranes : I. General and equilibrium considerations.

21 January 2018

1 reference

General continuum analysis of transport through pores. I. Proof of Onsager's reciprocity postulate for uniform pore

21 January 2018

1 reference

Constant fields and constant gradients in open ionic channels

21 January 2018

1 reference

Charges, currents, and potentials in ionic channels of one conformation

21 January 2018

1 reference

Computing the field in proteins and channels

21 January 2018

1 reference

Permeation through an open channel: Poisson-Nernst-Planck theory of a synthetic ionic channel

21 January 2018

1 reference

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

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

Test of Poisson-Nernst-Planck theory in ion channels

21 January 2018

1 reference

Exploration of the structural features defining the conduction properties of a synthetic ion channel

21 January 2018

1 reference

From structure to function in open ionic channels

21 January 2018

1 reference

A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel.

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

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

21 January 2018

1 reference

Tests of continuum theories as models of ion channels. I. Poisson-Boltzmann theory versus Brownian dynamics.

21 January 2018

1 reference

Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model.

21 January 2018

1 reference

Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.

21 January 2018

1 reference

Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution

21 January 2018

1 reference

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

21 January 2018

1 reference

The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currents

21 January 2018

1 reference

Dielectric boundary force and its crucial role in gramicidin.

21 January 2018

1 reference

Computing numerically the access resistance of a pore.

21 January 2018

1 reference

Poisson-Nernst-Planck theory approach to the calculation of current through biological ion channels

21 January 2018

1 reference

Influence of protein flexibility on the electrostatic energy landscape in gramicidin A.

21 January 2018

1 reference

Computation of electrostatic forces between solvated molecules determined by the Poisson-Boltzmann equation using a boundary element method

21 January 2018

1 reference

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

21 January 2018

1 reference

Self-consistent analytic solution for the current and the access resistance in open ion channels

21 January 2018

1 reference

Yukawa-Field Approximation of Electrostatic Free Energy and Dielectric Boundary Force

21 January 2018

1 reference

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

21 January 2018

1 reference

Towards an understanding of induced-charge electrokinetics at large applied voltages in concentrated solutions.

21 January 2018

1 reference

Diffuse-charge dynamics in electrochemical systems.

21 January 2018

1 reference

21 January 2018

Modeling of ion channels

1 reference

Diffusion constant of K inside Gramicidin A: a comparative study of four computational methods.

21 January 2018

1 reference

CONDUCTANCE OF STRONG ELECTROLYTES AT FINITE DILUTIONS.

21 January 2018

1 reference

The Debye-Falkenhagen effect: experimental fact or friction?

21 January 2018

1 reference

Relaxation effect on the Onsager coefficients of mixed strong electrolytes in the mean spherical approximation

21 January 2018

1 reference

Electrical conductivity of mixed electrolytes: Modeling within the mean spherical approximation

21 January 2018

1 reference

Ion transport models for electroanalytical simulation. 1. Theoretical comparison

21 January 2018

1 reference

Study of ion transport models for electroanalytical simulation. Part 2: experimental comparison.

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

Hydrodynamic model of temperature change in open ionic channels

21 January 2018

1 reference

Differences in Na and Ca Spikes As Examined by Application of Tetrodotoxin, Procaine, and Manganese Ions

21 January 2018

1 reference

Calcium currents in snail neurones. I. Identification of calcium current.

21 January 2018

1 reference

21 January 2018

1 reference

Mechanism of ion permeation through calcium channels

21 January 2018

1 reference

The Ca channel in skeletal muscle is a large pore

21 January 2018

1 reference

Calcium channel characteristics conferred on the sodium channel by single mutations

21 January 2018

1 reference

Ca2 channel selectivity at a single locus for high-affinity Ca2 interactions

21 January 2018

1 reference

Ion channel selectivity using an electric stew

21 January 2018

1 reference

Permeation and selectivity in calcium channels.

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

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

21 January 2018

1 reference

The ionic basis of electrical activity in nerve and muscle

21 January 2018

1 reference

Gating of sodium and potassium channels

21 January 2018

1 reference

Single sodium channels from the squid giant axon

21 January 2018

1 reference

Ion permeation in normal and batrachotoxin-modified Na channels in the squid giant axon

21 January 2018

1 reference

The crystal structure of a voltage-gated sodium channel

21 January 2018

1 reference

Proteins, channels and crowded ions

21 January 2018

1 reference

21 January 2018

1 reference

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

21 January 2018

1 reference

Effect of ryanodine on the calcium uptake system of skeletal muscle

21 January 2018

1 reference

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

21 January 2018

1 reference

Probing the role of negatively charged amino acid residues in ion permeation of skeletal muscle ryanodine receptor

21 January 2018

1 reference

Ryanodine calcium channel: a novel channelopathy for seizures

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

THERMODYNAMIC POTENTIALS OF SYMMETRICAL ELECTROLYTES.

21 January 2018

1 reference

Surmounting barriers in ionic channels

21 January 2018

1 reference

21 January 2018

1 reference

A variational formulation of the polarizable continuum model

21 January 2018

1 reference

Properties of Electrolytic Solutions. III. The Dissociation Constant

21 January 2018

1 reference

Properties of Electrolytic Solutions. IV. The Conductance Minimum and the Formation of Triple Ions Due to the Action of Coulomb Forces1

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Density Functional Theory and the Capillary Evaporation of a Liquid in a Slit

21 January 2018

1 reference

Ionic capillary evaporation in weakly charged nanopores

21 January 2018

1 reference

Self-organized models of selectivity in calcium channels

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1039/C2FD20066J

1 reference

4 February 2018

1 reference

1 reference

4 February 2018