ArticleBiophysical journal2001
Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics.
Article in Biophysical journal, 2001. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed.
- Epx4 Nanopore With Multiple Constrictions for Single-Molecule Identification.Small methods · 2026Article
- Inhibiting Effect of Inner Potential on Electroporation of Phospholipid Membranes Induced by Ionic Electrophoresis.International journal of molecular sciences · 2026Article
- Comparison among Amber-ff14SB, Amber-ff19SB, and CHARMM36 Force Fields for Ionic and Electroosmotic Flows in Biological Nanopores.Journal of chemical theory and computation · 2025Article
- Translocation of linearized full-length proteins through an engineered nanopore under opposing electrophoretic force.Nature biotechnology · 2024Article
- Multi-oligomeric states of alamethicin ion channel: Assemblies and conductance.Biophysical journal · 2023Article
- Overlimiting current near a nanochannel a new insight using molecular dynamics simulations.Scientific reports · 2021Article
- Electric Field Induced Wetting of a Hydrophobic Gate in a Model Nanopore Based on the 5-HTACS nano · 2020Article
- Accelerating Membrane Simulations with Hydrogen Mass Repartitioning.Journal of chemical theory and computation · 2019Article
- High bandwidth approaches in nanopore and ion channel recordings - A tutorial review.Analytica chimica acta · 2019Review
- Insights into protein sequencing with an α-Hemolysin nanopore by atomistic simulations.Scientific reports · 2019Article
- Modulation of Molecular Flux Using a Graphene Nanopore Capacitor.The journal of physical chemistry. B · 2017Article
- Exploring the Membrane Potential of Simple Dual-Membrane Systems as Models for Gap-Junction Channels.Biophysical journal · 2016Article
- Simulating Current-Voltage Relationships for a Narrow Ion Channel Using the Weighted Ensemble Method.Journal of chemical theory and computation · 2015Article
- Dual mechanism of ion permeation through VDAC revealed with inorganic phosphate ions and phosphate metabolites.PloS one · 2015Article
- A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.Journal of the American Chemical Society · 2013Article
- Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations.The Journal of general physiology · 2013Article
- Molecular dynamics simulations of lipid membrane electroporation.The Journal of membrane biology · 2012Article
- A rotary nano ion pump: a molecular dynamics study.Journal of molecular modeling · 2012Article
- Constant electric field simulations of the membrane potential illustrated with simple systems.Biochimica et biophysica acta · 2012Review
- Molecular dynamics simulations of voltage-gated cation channels: insights on voltage-sensor domain function and modulation.Frontiers in pharmacology · 2012Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
Using periodic boundary conditions and a constant applied field, we have simulated current flow through an 8.125-A internal diameter, rigid, atomistic channel with polar walls in a rigid membrane using explicit ions and extended simple point charge water. Channel and bath currents were computed from 10 10-ns trajectories for each of 10 different conditions of concentration and applied voltage. An electric field was applied uniformly throughout the system to all mobile atoms. On average, the resultant net electric field falls primarily across the membrane channel, as expected for two conductive baths separated by a membrane capacitance. The channel is rarely occupied by more than one ion. Current-voltage relations are concentration dependent and superlinear at high concentrations.
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