(Q43121784)

14 November 2017

On the potential functions used in molecular dynamics simulations of ion channels (English)

1 reference

14 November 2017

Benoît Roux

1

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14 November 2017

Simon Bernèche

series ordinal

2

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14 November 2017

language of work or name

English

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publication date

1 March 2002

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14 November 2017

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14 November 2017

82

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14 November 2017

3

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14 November 2017

1681-1684

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Molecular dynamics study of the KcsA potassium channel

14 November 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Ion permeation mechanism of the potassium channel

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Molecular dynamics of the KcsA K(+) channel in a bilayer membrane

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Energetics of ion conduction through the K+ channel

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Extracellular blockade of K(+) channels by TEA: results from molecular dynamics simulations of the KcsA channel

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

A semi-microscopic Monte Carlo study of permeation energetics in a gramicidin-like channel: the origin of cation selectivity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Potassium and sodium binding to the outer mouth of the K+ channel

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

7 January 2021

Polarizable force fields

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Comparison of simple potential functions for simulating liquid water

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

K(+)/Na(+) selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

All-atom empirical potential for molecular modeling and dynamics studies of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

Improved simulation of liquid water by molecular dynamics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975520-3

10.1016/S0006-3495(02)75520-3

7 January 2021

Identifiers

DOI

1 reference

14 November 2017

1 reference

14 November 2017

PubMed publication ID

11898796

1 reference