Realistic simulations of proton transport along the gramicidin channel: demonstrating the importance of solvation effects (Q46072206)

19 December 2017

title

Realistic simulations of proton transport along the gramicidin channel: demonstrating the importance of solvation effects (English)

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19 December 2017

Arieh Warshel

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19 December 2017

Sonja Braun-Sand

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19 December 2017

Anton Burykin

series ordinal

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19 December 2017

Zhen Tao Chu

series ordinal

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19 December 2017

language of work or name

English

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publication date

1 January 2005

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19 December 2017

Journal of Physical Chemistry B

published in

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19 December 2017

volume

109

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19 December 2017

issue

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19 December 2017

page(s)

583-592

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19 December 2017

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

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https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

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

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Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels

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The formation and dynamics of proton wires in channel environments

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Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

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How water molecules pass through aquaporins

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Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase

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Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin

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Studies of proton translocations in biological systems: simulating proton transport in carbonic anhydrase by EVB-based models

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Proton transfer in reaction centers from photosynthetic bacteria

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Structure at 2.7 Å resolution of the Paracoccus denitrificans two-subunit cytochrome c oxidase complexed with an antibody F V fragment

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Conversion of light energy to electrostatic energy in the proton pump of Halobacterium halobium

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Atomic resolution structures of bacteriorhodopsin photocycle intermediates: the role of discrete water molecules in the function of this light-driven ion pump

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Water transporters: how so fast yet so selective?

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Control of the selectivity of the aquaporin water channel family by global orientational tuning

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Proton transport across transient single-file water pores in a lipid membrane studied by molecular dynamics simulations

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Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides at 2.65 A resolution: cofactors and protein-cofactor interactions

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Redox-coupled crystal structural changes in bovine heart cytochrome c oxidase

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11 October 2022

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Thermodynamic view of activation energies of proton transfer in various gramicidin A channels

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11 October 2022

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The mechanism of proton exclusion in aquaporin channels

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What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposals

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Proton mobilities in water and in different stereoisomers of covalently linked gramicidin A channels

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Dynamic mechanisms of the membrane water channel aquaporin-1 (AQP1)

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Dynamics of biochemical and biophysical reactions: insight from computer simulations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Helix deformation is coupled to vectorial proton transport in the photocycle of bacteriorhodopsin

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11 October 2022

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Structure of bacteriorhodopsin at 1.55 A resolution

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11 October 2022

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Membrane proteins: Aquaporins--channels without ions.

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Permeation of ions across the potassium channel: Brownian dynamics studies

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Proton translocation by bacteriorhodopsin and heme-copper oxidases

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Continuum electrostatics fails to describe ion permeation in the gramicidin channel

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Exploring the origin of the ion selectivity of the KcsA potassium channel

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

The Mechanism of Proton Exclusion in the Aquaporin-1 Water Channel

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

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11 October 2022

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Coupling of phosphorylation to electron and hydrogen transfer by a chemi-osmotic type of mechanism

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Application of the Method of Generating Function to Radiative and Non-Radiative Transitions of a Trapped Electron in a Crystal

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Dynamics of enzymatic reactions

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Electrostatic control of the efficiency of light-induced electron transfer across membranes

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Bioinformatics. Reality simulation--observe while it happens

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Structural determinants of water permeation through aquaporin-1

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0465783

Identifiers

DOI

10.1021/JP0465783

1 reference

19 December 2017

1 reference

19 December 2017