ArticleBiophysical journal2007
Charge delocalization in proton channels, II: the synthetic LS2 channel and proton selectivity.
Article in Biophysical journal, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Engineered Channel Asymmetry Extends Hydrogen-Bonding Networks for Proton Conduction.bioRxiv : the preprint server for biology · 2026Article
- Transcendent Aspects of Proton Channels.Annual review of physiology · 2024Review
- Proton transfer reactions: From photochemistry to biochemistry and bioenergetics.BBA advances · 2023Article
- Generalized Transition State Theory Treatment of Water-Assisted Proton Transport Processes in Proteins.The journal of physical chemistry. B · 2022Article
- Water in Nanopores and Biological Channels: A Molecular Simulation Perspective.Chemical reviews · 2020Review
- Multiscale Simulation Reveals Passive Proton Transport Through SERCA on the Microsecond Timescale.Biophysical journal · 2020Article
- The CaMolecular bioSystems · 2017Review
- Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based models.The journal of physical chemistry. B · 2014Article
- Philosophy of voltage-gated proton channels.Journal of the Royal Society, Interface · 2014Review
- Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel.Journal of chemical theory and computation · 2014Article
- Voltage-gated proton channels: molecular biology, physiology, and pathophysiology of the H(V) family.Physiological reviews · 2013Review
- Voltage-gated proton channels find their dream job managing the respiratory burst in phagocytes.Physiology (Bethesda, Md.) · 2010Review
- Proton transport behavior through the influenza A M2 channel: insights from molecular simulation.Biophysical journal · 2007Article
- Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations.The journal of physical chemistry. B · 2007Review
- Charge delocalization in proton channels, I: the aquaporin channels and proton blockage.Biophysical journal · 2007Article
- Origins of proton transport behavior from selectivity domain mutations of the aquaporin-1 channel.Biophysical journal · 2006Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
In this study, the minimalist synthetic LS2 channel is used as a prototype to examine the selectivity of protons over other cations. The free-energy profiles along the transport pathway of LS2 are calculated for three cation species: a realistic delocalized proton (including Grotthuss shuttling)--H(+), a classical (nonshuttling) hydronium--H(3)O(+), and a potassium cation--K(+). The overall barrier for K(+) is approximately twice as large as that for H(+), explaining the >100 times larger maximal ion conductance for the latter, in qualitative agreement with the experimental result. The profile for the classical hydronium is quantitatively intermediate between those of H(+) and K(+) and qualitatively more similar to that of H(+), for which the locations of the peaks are well correlated with the troughs of the pore radius profile. There is a strong correlation between the free-energy profiles and the very different characteristic hydration structures of the three cation species. This work suggests that the passage of various cations through ion channels cannot always be explained by simple electrostatic desolvation considerations.
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Registered trials
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