ArticleBiophysical journal2004
Theory and simulation of water permeation in aquaporin-1.
Article in Biophysical journal, 2004. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 80 papers.
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Who cites it
80 citing papers in PubMed.
- Highly Selective Bioinspired Peptide Channels for Rapid Water Transport.Angewandte Chemie (International ed. in English) · 2026Article
- Analysis of the Effect of the Magnetic Field on Water Flux Through TIP3;1 Aquaporins Using Molecular Dynamics in GROMACS.The Journal of membrane biology · 2026Article
- Metabolic Energy is Stored in a Homeostatic Trans-Membrane Water Barochemical Gradient.The Journal of membrane biology · 2025Article
- MDTAP: a tool to analyze permeation events across membrane proteins.Bioinformatics advances · 2025Article
- A Futile Cycle?: Tissue Homeostatic Trans-Membrane Water Co-Transport: Kinetics, Thermodynamics, Metabolic Consequences.bioRxiv : the preprint server for biology · 2024Article
- Molecular Imaging with Aquaporin-Based Reporter Genes: Quantitative Considerations from Monte Carlo Diffusion Simulations.ACS synthetic biology · 2023Article
- Collective Domain Motion Facilitates Water Transport in SGLT1.International journal of molecular sciences · 2023Article
- Molecular imaging with aquaporin-based reporter genes: quantitative considerations from Monte Carlo diffusion simulations.bioRxiv : the preprint server for biology · 2023Article
- Biohybrid Membrane Formation by Directed Insertion of Aquaporin into a Solid-State Nanopore.ACS applied materials & interfaces · 2022Article
- Water Transport and Ion Diffusion Investigation of an Amphotericin B-Based Channel Applied to Forward Osmosis: A Simulation Study.Membranes · 2021Article
- Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers.The Journal of chemical physics · 2020Article
- Membrane permeability of small molecules from unbiased molecular dynamics simulations.The Journal of chemical physics · 2020Article
- Water in Nanopores and Biological Channels: A Molecular Simulation Perspective.Chemical reviews · 2020Review
- Application of the Brown dynamics fluctuation-dissipation theorem to the study of Plasmodium berghei transporter protein PbAQP.Frontiers in physics · 2020Article
- Article
- Association Between aquaporin-1 and Endurance Performance: A Systematic Review.Sports medicine - open · 2019Review
- Evaluation of permeability applicability based on continuum mechanics law in fluid flow through graphene membrane.Scientific reports · 2019Article
- A molecular dynamics study on the resilience of Sec61 channel from open to closed state.RSC advances · 2019Article
- Molecular Dynamics Simulations of Membrane Permeability.Chemical reviews · 2019Review
- Simulation of HJournal of materials chemistry. A · 2019Article
20 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
We discuss the difference between osmotic permeability pf and diffusion permeability pd of single-file water channels and demonstrate that the pf/pd ratio corresponds to the number of effective steps a water molecule needs to take to permeate a channel. While pd can be directly obtained from equilibrium molecular dynamics simulations, pf can be best determined from simulations in which a chemical potential difference of water has been established on the two sides of the channel. In light of this, we suggest a method to induce in molecular dynamics simulations a hydrostatic pressure difference across the membrane, from which pf can be measured. Simulations using this method are performed on aquaporin-1 channels in a lipid bilayer, resulting in a calculated pf of 7.1 x 10(-14) cm(3)/s, which is in close agreement with observation. Using a previously determined pd value, we conclude that pf/pd for aquaporin-1 measures approximately 12. This number is explained in terms of channel architecture and conduction mechanism.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.