ArticleBiophysical journal2006
Origins of proton transport behavior from selectivity domain mutations of the aquaporin-1 channel.
Article in Biophysical journal, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed.
- Mathematical Modeling of Monovalent Permselectivity of a Bilayer Ion-Exchange Membrane as a Function of Current Density.International journal of molecular sciences · 2022Article
- Water in Nanopores and Biological Channels: A Molecular Simulation Perspective.Chemical reviews · 2020Review
- Aquaporin-graphene interface: relevance to point-of-care device for renal cell carcinoma and desalination.Interface focus · 2018Review
- Nanoscale Ion Pump Derived from a Biological Water Channel.The journal of physical chemistry. B · 2017Article
- Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study.International journal of molecular sciences · 2016Article
- Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future.International journal of molecular sciences · 2016Review
- Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins.Applied physics letters · 2014Article
- Aquaporins: important but elusive drug targets.Nature reviews. Drug discovery · 2014Review
- Mechanisms of molecular transport through the urea channel of Helicobacter pylori.Nature communications · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Computationally Efficient Multiconfigurational Reactive Molecular Dynamics.Journal of chemical theory and computation · 2012Article
- Gating pore currents and the resting state of Nav1.4 voltage sensor domains.Proceedings of the National Academy of Sciences of the United States of America · 2012Article
- Expanding the view of proton pumping in cytochrome c oxidase through computer simulation.Biochimica et biophysica acta · 2012Article
- Mercury inhibits the L170C mutant of aquaporin Z by making waters clog the water channel.Biophysical chemistry · 2012Article
- Aquaporins as gas channels.Pflugers Archiv : European journal of physiology · 2011Review
- Design and characterization of genetically engineered zebrafish aquaporin-3 mutants highly permeable to the cryoprotectant ethylene glycol.BMC biotechnology · 2011Article
- An aqueous H+ permeation pathway in the voltage-gated proton channel Hv1.Nature structural & molecular biology · 2010Article
- Exploring transmembrane diffusion pathways with molecular dynamics.Physiology (Bethesda, Md.) · 2010Review
- Molecular mechanisms of how mercury inhibits water permeation through aquaporin-1: understanding by molecular dynamics simulation.Biophysical journal · 2010Article
- Electrostatics of aquaporin and aquaglyceroporin channels correlates with their transport selectivity.Proceedings of the National Academy of Sciences of the United States of America · 2010Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The permeation free-energy profile and maximum ion conductance of proton transport along the channel of three aquaporin-1 (AQP1) mutants (H180A/R195V, H180A, and R195V) are calculated via molecular dynamics simulations and Poisson-Nernst-Planck theory. The proton dynamics was described by the multistate empirical valence bond (MS-EVB) model. The results reveal three major contributions to the overall free-energy barrier for proton transport in AQP1: 1), the bipolar field, 2), the electrostatic repulsion due to the Arg-195 residue, and 3), the dehydration penalty due to the narrow channel pore. The double mutation (H180A/R195V) drastically drops the overall free-energy barrier by roughly 20 kcal/mol via simultaneously relaxing the direct electrostatic interaction (by R195V) and dehydration effect (by H180A).
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