(Q51786501)

12 April 2018

title

Generalized Langevin models of molecular dynamics simulations with applications to ion channels. (English)

1 reference

12 April 2018

author name string

Dan Gordon

series ordinal

1

1 reference

12 April 2018

Vikram Krishnamurthy

series ordinal

2

1 reference

12 April 2018

Shin-Ho Chung

series ordinal

3

1 reference

12 April 2018

language of work or name

English

0 references

publication date

1 October 2009

1 reference

12 April 2018

Journal of Chemical Physics

published in

1 reference

12 April 2018

volume

131

1 reference

12 April 2018

issue

13

1 reference

12 April 2018

page(s)

134102

1 reference

12 April 2018

The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity

cites work

1 reference

Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics

21 January 2018

1 reference

Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map

21 January 2018

1 reference

Permeation of ions across the potassium channel: Brownian dynamics studies

21 January 2018

1 reference

Framework model for single proton conduction through gramicidin

21 January 2018

1 reference

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

21 January 2018

1 reference

Simulations of ion current in realistic models of ion channels: the KcsA potassium channel

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

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

21 January 2018

1 reference

Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields

21 January 2018

1 reference

Energetics of ion conduction through the gramicidin channel

21 January 2018

1 reference

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

21 January 2018

1 reference

Continuum electrostatics fails to describe ion permeation in the gramicidin channel

21 January 2018

1 reference

Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels

21 January 2018

1 reference

Through the channel and around the channel: Validating and comparing microscopic approaches for the evaluation of free energy profiles for ion penetration through ion channels

21 January 2018

1 reference

Overcoming free energy barriers using unconstrained molecular dynamics simulations

21 January 2018

1 reference

The use of physical methods in determining gramicidin channel structure and function

21 January 2018

1 reference

Engineering the gramicidin channel

21 January 2018

1 reference

Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Scalable molecular dynamics with NAMD

21 January 2018

1 reference

VMD: visual molecular dynamics

21 January 2018

1 reference

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

Gramicidin A channel as a test ground for molecular dynamics force fields

21 January 2018

1 reference

Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A.

21 January 2018

1 reference

Modeling electrostatic effects in proteins

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3233945

1 reference

12 April 2018

1 reference

12 April 2018