(Q46697827)

24 December 2017

title

Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution (English)

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24 December 2017

6

J Andrew McCammon

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24 December 2017

Benzhuo Lu

1

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24 December 2017

Y C Zhou

2

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24 December 2017

Gary A Huber

3

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24 December 2017

Stephen D Bond

4

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24 December 2017

Michael J Holst

5

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24 December 2017

language of work or name

English

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publication date

1 October 2007

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24 December 2017

Journal of Chemical Physics

published in

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24 December 2017

volume

127

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24 December 2017

issue

13

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24 December 2017

page(s)

135102

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24 December 2017

Electrostatic aspects of protein-protein interactions.

cites work

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Electrostatic influence on the kinetics of ligand binding to acetylcholinesterase. Distinctions between active center ligands and fasciculin

21 January 2018

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21 January 2018

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The Smoluchowski-Poisson-Boltzmann description of ion diffusion at charged interfaces

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THE NUMERICAL SOLUTION OF THE TIME-DEPENDENT NERNST-PLANCK EQUATIONS.

21 January 2018

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Computing the field in proteins and channels

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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

Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance

21 January 2018

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Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA.

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

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A microscopic view of ion conduction through the K+ channel.

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

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Analysis of synaptic transmission in the neuromuscular junction using a continuum finite element model

21 January 2018

1 reference

Finite element simulations of acetylcholine diffusion in neuromuscular junctions

21 January 2018

1 reference

Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models

21 January 2018

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Finite element solution of the steady-state Smoluchowski equation for rate constant calculations

21 January 2018

1 reference

Continuum diffusion reaction rate calculations of wild-type and mutant mouse acetylcholinesterase: adaptive finite element analysis

21 January 2018

1 reference

Electrostatics of nanosystems: application to microtubules and the ribosome

21 January 2018

1 reference

Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations

21 January 2018

1 reference

Improved Boundary Element Methods for Poisson-Boltzmann Electrostatic Potential and Force Calculations

21 January 2018

1 reference

Order N algorithm for computation of electrostatic interactions in biomolecular systems

21 January 2018

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Hybrid boundary element and finite difference method for solving the nonlinear Poisson-Boltzmann equation.

21 January 2018

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

21 January 2018

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Reduced surface: an efficient way to compute molecular surfaces

21 January 2018

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

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The molecular theory of polyelectrolyte solutions with applications to the electrostatic properties of polynucleotides

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

Tetrameric mouse acetylcholinesterase: continuum diffusion rate calculations by solving the steady-state Smoluchowski equation using finite element methods

21 January 2018

1 reference

Acetylcholinesterase in the fast extraocular muscle of the mouse by light and electron microscope autoradiography

21 January 2018

1 reference

Vesicle size and transmitter release at the frog neuromuscular junction when quantal acetylcholine content is increased or decreased

21 January 2018

1 reference

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

21 January 2018

1 reference

ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules

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

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

21 January 2018

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Kinetics of diffusion-influenced reactions studied by Brownian dynamics

21 January 2018

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Effect of interaction potentials in diffusion‐influenced reactions with small reactive regions

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.2775933

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24 December 2017

PubMed ID

17919055

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24 December 2017