(Q33853921)

29 July 2017

title

Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel (English)

1 reference

29 July 2017

4

Gregory A Voth

1 reference

29 July 2017

Ruibin Liang

1

1 reference

29 July 2017

Hui Li

series ordinal

2

1 reference

29 July 2017

Jessica M J Swanson

series ordinal

3

1 reference

29 July 2017

language of work or name

English

0 references

publication date

16 June 2014

1 reference

Proceedings of the National Academy of Sciences of the United States of America

29 July 2017

published in

1 reference

29 July 2017

volume

111

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29 July 2017

issue

26

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29 July 2017

page(s)

9396-9401

1 reference

Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton

29 July 2017

cites work

1 reference

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Proton affinity of the histidine-tryptophan cluster motif from the influenza A virus from ab initio molecular dynamics

5 July 2018

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Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

5 July 2018

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Activation and proton transport mechanism in influenza A M2 channel

5 July 2018

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Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations

5 July 2018

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Drug-induced conformational and dynamical changes of the S31N mutant of the influenza M2 proton channel investigated by solid-state NMR.

5 July 2018

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pH-dependent conformation, dynamics, and aromatic interaction of the gating tryptophan residue of the influenza M2 proton channel from solid-state NMR

5 July 2018

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Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus

5 July 2018

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Hydrogen-bonding partner of the proton-conducting histidine in the influenza M2 proton channel revealed from 1H chemical shifts

5 July 2018

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Insights into the mechanism of proton transport in cytochrome c oxidase

5 July 2018

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NMR detection of pH-dependent histidine-water proton exchange reveals the conduction mechanism of a transmembrane proton channel.

5 July 2018

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Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.

5 July 2018

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Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II.

5 July 2018

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Tidal surge in the M2 proton channel, sensed by 2D IR spectroscopy

5 July 2018

1 reference

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Multiple Proton Confinement in the M2 Channel from the Influenza A Virus

5 July 2018

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A theory for the proton transport of the influenza virus M2 protein: extensive test against conductance data

5 July 2018

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Insight into the Mechanism of the Influenza A Proton Channel from a Structure in a Lipid Bilayer

5 July 2018

1 reference

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Mechanisms of proton conduction and gating in influenza M2 proton channels from solid-state NMR

5 July 2018

1 reference

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Solution NMR structure of the V27A drug resistant mutant of influenza A M2 channel

5 July 2018

1 reference

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Proton and cation transport activity of the M2 proton channel from influenza A virus

5 July 2018

1 reference

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Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

5 July 2018

1 reference

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Diffusion-Influenced Transport of Ions across a Transmembrane Channel with an Internal Binding Site

5 July 2018

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Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers

5 July 2018

1 reference

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Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel

5 July 2018

1 reference

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Conformational heterogeneity of the M2 proton channel and a structural model for channel activation

5 July 2018

1 reference

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Identification of the functional core of the influenza A virus A/M2 proton-selective ion channel

5 July 2018

1 reference

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Elucidation of the proton transport mechanism in human carbonic anhydrase II.

5 July 2018

1 reference

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Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus

5 July 2018

1 reference

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Structure of Amantadine-Bound M2 Transmembrane Peptide of Influenza A in Lipid Bilayers from Magic-Angle-Spinning Solid-State NMR: The Role of Ser31 in Amantadine Binding

5 July 2018

1 reference

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A secondary gate as a mechanism for inhibition of the M2 proton channel by amantadine.

5 July 2018

1 reference

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On the epidemiology of influenza

5 July 2018

1 reference

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Structural basis for the function and inhibition of an influenza virus proton channel

5 July 2018

1 reference

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Structure and mechanism of the M2 proton channel of influenza A virus

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Proton transport behavior through the influenza A M2 channel: insights from molecular simulation

5 July 2018

1 reference

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Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations

5 July 2018

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Histidines, heart of the hydrogen ion channel from influenza A virus: toward an understanding of conductance and proton selectivity.

5 July 2018

1 reference

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Energetics of ion conduction through the gramicidin channel

5 July 2018

1 reference

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The closed state of a H+ channel helical bundle combining precise orientational and distance restraints from solid state NMR

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Molecular dynamics simulation of proton transport through the influenza A virus M2 channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Structure of the transmembrane region of the M2 protein H+ channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Protonation of histidine and histidine-tryptophan interaction in the activation of the M2 ion channel from influenza a virus

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Virus taxonomy--1999. The universal system of virus taxonomy, updated to include the new proposals ratified by the International Committee on Taxonomy of Viruses during 1998.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Density-functional exchange-energy approximation with correct asymptotic behavior

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

A functionally defined model for the M2 proton channel of influenza A virus suggests a mechanism for its ion selectivity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

The influenza A virus M2 channel: a molecular modeling and simulation study.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Ion channel activity of influenza A virus M2 protein: characterization of the amantadine block

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Direct measurement of the influenza A virus M2 protein ion channel activity in mammalian cells

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

The molecular basis of the specific anti-influenza action of amantadine

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4084430

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1401997111

Structural comparison of the wild-type and drug-resistant mutants of the influenza A M2 proton channel by molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1401997111

21 January 2018

Hydrogen bonds in water

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https://api.crossref.org/works/10.1073%2FPNAS.1401997111

A multistate empirical valence bond description of protonatable amino acids

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1401997111

Enhancement of proton conductance by mutations of the selectivity filter of aquaporin-1.

21 January 2018

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https://api.crossref.org/works/10.1073%2FPNAS.1401997111

Evidence for an enhanced hydronium concentration at the liquid water surface

21 January 2018

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https://api.crossref.org/works/10.1073%2FPNAS.1401997111

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

21 January 2018

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

21 January 2018

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https://api.crossref.org/works/10.1073%2FPNAS.1401997111

Free energy calculations on the two drug binding sites in the M2 proton channel

21 January 2018

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12 December 2020

A bond-order analysis of the mechanism for hydrated proton mobility in liquid water

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12 December 2020

Communication: Quantitative estimate of the water surface pH using heterodyne-detected electronic sum frequency generation

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12 December 2020

Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: a first-principles molecular dynamics study

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12 December 2020

An improved multistate empirical valence bond model for aqueous proton solvation and transport

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12 December 2020

Identifiers

DOI

10.1073/PNAS.1401997111

1 reference

29 July 2017

0 references

1 reference

29 July 2017

1 reference