ReviewBiochimica et biophysica acta2012
Constant electric field simulations of the membrane potential illustrated with simple systems.
Review in Biochimica et biophysica acta, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 115 papers.
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Who cites it
115 citing papers in PubMed.
- Lipid gating of BK channels and activation mechanism by negatively charged lipids.Communications chemistry · 2026Article
- Voltage-sensor conformational microenvironments encode isoform-selective ion channel activation.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Current-Voltage Characteristics of K+ Channels Estimated by MD Simulations and Markov State Models.Journal of chemical information and modeling · 2026Article
- Characterization of an open-channel structure and lateral conduction pathway in the cation-selective pentameric ligand-gated ion channel, ELIC.The Journal of general physiology · 2026Article
- Multi-ion permeation and dynamic conductance modulation in connexin gap junction channels.bioRxiv : the preprint server for biology · 2026Article
- A Nanopore-Gated Subattoliter Silicon Nanocavity for Single-Molecule Trapping and Analysis without Applying an External Force.ACS nano · 2026Article
- Distinct mechanisms of inhibition of Kv2 potassium channels by tetraethylammonium and RY785.eLife · 2026Article
- Selectivity Filter Dynamics Define Ion Conductance and Selectivity Differences in CNG and HCN Channels.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Molecular dynamics analyses of CLDN15 pore size and charge selectivity.The Journal of general physiology · 2026Article
- Role of Water Models in Simulations of Ion Conduction in Potassium Channels.Journal of chemical theory and computation · 2026Article
- From Atoms to Neuronal Spikes: A Multiscale Simulation Framework.Journal of chemical theory and computation · 2026Review
- From Flux to Function: Extracting Mechanistic Insights from Ion Channels via I-V and I-μ Analyses.bioRxiv : the preprint server for biology · 2025Article
- 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
- Characterization of an Open-Channel Structure and Lateral Conduction Pathway in the Cation-Selective Pentameric Ligand-Gated Ion Channel, ELIC.bioRxiv : the preprint server for biology · 2025Article
- From Atoms to Neuronal Spikes: A Multi-Scale Simulation Framework.bioRxiv : the preprint server for biology · 2025Article
- Protein-mediated electroporation: Pore formation in a calcium voltage-sensing domain induced by positive and negative nanosecond pulsed electric fields.Protein science : a publication of the Protein Society · 2025Article
- Molecular Dynamics Study of the Coalescence of Water Droplets with Anionic Asphaltene Molecules under a DC Electric Field.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Atomistic mechanism of non-selective cation permeation in cyclic nucleotide-gated CNGA1 ion channel by molecular dynamics simulations.Communications biology · 2025Article
- Molecular permeation through large pore channels: computational approaches and insights.The Journal of physiology · 2025Review
- Article
55 more citing papers are in PubMed but not listed here.
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4 authors.
Funding
Abstract
Advances in modern computational methods and technology make it possible to carry out extensive molecular dynamics simulations of complex membrane proteins based on detailed atomic models. The ultimate goal of such detailed simulations is to produce trajectories in which the behavior of the system is as realistic as possible. A critical aspect that requires consideration in the case of biological membrane systems is the existence of a net electric potential difference across the membrane. For meaningful computations, it is important to have well validated methodologies for incorporating the latter in molecular dynamics simulations. A widely used treatment of the membrane potential in molecular dynamics consists of applying an external uniform electric field E perpendicular to the membrane. The field acts on all charged particles throughout the simulated system, and the resulting applied membrane potential V is equal to the applied electric field times the length of the periodic cell in the direction perpendicular to the membrane. A series of test simulations based on simple membrane-slab models are carried out to clarify the consequences of the applied field. These illustrative tests demonstrate that the constant-field method is a simple and valid approach for accounting for the membrane potential in molecular dynamics studies of biomolecular systems. This article is part of a Special Issue entitled: Membrane protein structure and function.
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