ArticleBiophysical journal2011
Molecular dynamics studies of ion permeation in VDAC.
Article in Biophysical journal, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 48 papers.
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Who cites it
48 citing papers in PubMed.
- Computational Insights into PB1-F2 Mediated Modulation of VDAC1: An Allosteric Mechanism in Mitochondrial Dysfunction.ACS omega · 2026Article
- Rafoxanide disrupts mitochondrial homeostasis through VDAC1 modulation in colorectal cancer cells.Cell death discovery · 2026Article
- MDTAP: a tool to analyze permeation events across membrane proteins.Bioinformatics advances · 2025Article
- A computational model for lipid-anchored polysaccharide export by the outer membrane protein GfcD.Biophysical journal · 2024Article
- Impact of aging on the GABAbioRxiv : the preprint server for biology · 2024Article
- E as in Enigma: The Mysterious Role of the Voltage-Dependent Anion Channel Glutamate E73.International journal of molecular sciences · 2022Review
- The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating.Journal of the American Chemical Society · 2022Article
- Amphotericin B assembles into seven-molecule ion channels: An NMR and molecular dynamics study.Science advances · 2022Article
- Synaptotagmin-1 C2B domains cooperatively stabilize the fusion stalkChemical science · 2022Article
- Molecular mechanism of thiamine pyrophosphate import into mitochondria: a molecular simulation study.Journal of computer-aided molecular design · 2021Article
- The Open State Selectivity of the Bean Seed VDAC Depends on Stigmasterol and Ion Concentration.International journal of molecular sciences · 2021Article
- The intrinsically disordered N-terminus of the voltage-dependent anion channel.PLoS computational biology · 2021Article
- Quinidine partially blocks mitochondrial voltage-dependent anion channel (VDAC).European biophysics journal : EBJ · 2020Article
- Molecular Dynamics Simulations of Membrane Permeability.Chemical reviews · 2019Review
- Article
- Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model.Journal of chemical theory and computation · 2018Article
- Gating of Connexin Channels by transjunctional-voltage: Conformations and models of open and closed states.Biochimica et biophysica acta. Biomembranes · 2018Review
- Ten Years of High Resolution Structural Research on the Voltage Dependent Anion Channel (VDAC)-Recent Developments and Future Directions.Frontiers in physiology · 2018Review
- Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes.Journal of chemical theory and computation · 2017Article
- On the role of residue phosphorylation in 14-3-3 partners: AANAT as a case study.Scientific reports · 2017Article
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4 authors.
Funding
Abstract
The voltage-dependent anion channel (VDAC) in the outer membrane of mitochondria serves an essential role in the transport of metabolites and electrolytes between the cell matrix and mitochondria. To examine its structure, dynamics, and the mechanisms underlying its electrophysiological properties, we performed a total of 1.77 μs molecular dynamics simulations of human VDAC isoform 1 in DOPE/DOPC mixed bilayers in 1 M KCl solution with transmembrane potentials of 0, ±25, ±50, ±75, and ±100 mV. The calculated conductance and ion selectivity are in good agreement with the experimental measurements. In addition, ion density distributions inside the channel reveal possible pathways for different ion species. Based on these observations, a mechanism underlying the anion selectivity is proposed; both ion species are transported across the channel, but the rate for K(+) is smaller than that for Cl(-) because of the attractive interactions between K(+) and residues on the channel wall. This difference leads to the anion selectivity of VDAC.
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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.