(Q36508923)

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The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations

scientific article published on September 2006

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scholarly article

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Europe PubMed Central

14 August 2017

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Europe PubMed Central

The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations (English)

1 reference

Europe PubMed Central

14 August 2017

Andrei V Pisliakov

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Andrei V Pisliakov

2

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3

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Arieh Warshel

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Europe PubMed Central

14 August 2017

author name string

Mitsunori Kato

1

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Europe PubMed Central

14 August 2017

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publication date

1 September 2006

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Europe PubMed Central

14 August 2017

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Europe PubMed Central

14 August 2017

64

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Europe PubMed Central

14 August 2017

4

1 reference

Europe PubMed Central

14 August 2017

829-844

1 reference

Europe PubMed Central

14 August 2017

Voltage-gated proton channels and other proton transfer pathways

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21012

21 January 2018

Water and ion permeation in bAQP1 and GlpF channels: a kinetic Monte Carlo study

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Molecular dynamics study of water penetration in staphylococcal nuclease.

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

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Structural determinants of proton blockage in aquaporins

1 reference

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Calculations of electrostatic interactions in biological systems and in solutions

1 reference

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Experimental pK(a) values of buried residues: analysis with continuum methods and role of water penetration

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Experimental measurement of the effective dielectric in the hydrophobic core of a protein.

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Dipoles localized at helix termini of proteins stabilize charges

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Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

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

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Stabilization of charges on isolated ionic groups sequestered in proteins by polarized peptide units

1 reference

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Structural determinants of water permeation through aquaporin-1

1 reference

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Computer simulations of enzyme catalysis: methods, progress, and insights

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The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

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Structural basis of water-specific transport through the AQP1 water channel

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Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels

1 reference

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Energetics of enzyme catalysis

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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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The pore helix dipole has a minor role in inward rectifier channel function

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

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The mechanism of proton exclusion in aquaporin channels

1 reference

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

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Identifiers

10.1002/PROT.21012

1 reference

Europe PubMed Central

14 August 2017

1 reference

Europe PubMed Central

14 August 2017

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