ArticleBiophysical journal2011
Molecular dynamics simulation of the antiamoebin ion channel: linking structure and conductance.
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 15 papers.
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Who cites it
15 citing papers in PubMed, 42 citations in OpenAlex.
- Impact of a Terahertz electromagnetic field on the ion permeation of potassium and sodium channels.Communications chemistry · 2025Article
- Multi-oligomeric states of alamethicin ion channel: Assemblies and conductance.Biophysical journal · 2023Article
- Joule heating involving ion currents through channel proteins.Biophysics and physicobiology · 2023Article
- Electrophysiological Properties from Computations at a Single Voltage: Testing Theory with Stochastic Simulations.Entropy (Basel, Switzerland) · 2021Article
- Structural Diversity and Bioactivities of Peptaibol Compounds From the Longibrachiatum Clade of the Filamentous Fungal GenusFrontiers in microbiology · 2019Article
- Synergistic combination of alkylphosphocholines with peptaibols in targeting Leishmania infantum in vitro.International journal for parasitology. Drugs and drug resistance · 2018Article
- Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analogues.Journal of molecular modeling · 2017Article
- Flexible Proteins at the Origin of Life.Life (Basel, Switzerland) · 2017Article
- Validity of the Electrodiffusion Model for Calculating Conductance of Simple Ion Channels.The journal of physical chemistry. B · 2017Article
- Pore size matters for potassium channel conductance.The Journal of general physiology · 2016Review
- The adaptive biasing force method: everything you always wanted to know but were afraid to ask.The journal of physical chemistry. B · 2015Article
- Towards co-evolution of membrane proteins and metabolism.Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life · 2014Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Theory and simulation of ion conduction in the pentameric GLIC channel.Journal of chemical theory and computation · 2012Article
- Diffusion models of protein folding.Physical chemistry chemical physics : PCCP · 2011Article
Corrections and comments
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Authors and funding
5 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular-dynamics simulations were carried out to ascertain which of the potential multimeric forms of the transmembrane peptaibol channel, antiamoebin, is consistent with its measured conductance. Estimates of the conductance obtained through counting ions that cross the channel and by solving the Nernst-Planck equation yield consistent results, indicating that the motion of ions inside the channel can be satisfactorily described as diffusive. The calculated conductance of octameric channels is markedly higher than the conductance measured in single channel recordings, whereas the tetramer appears to be nonconducting. The conductance of the hexamer was estimated to be 115 ± 34 pS and 74 ± 20 pS, at 150 mV and 75 mV, respectively, in satisfactory agreement with the value of 90 pS measured at 75 mV. On this basis, we propose that the antiamoebin channel consists of six monomers. Its pore is large enough to accommodate K⁺ and Cl⁻ with their first solvation shells intact. The free energy barrier encountered by K⁺ is only 2.2 kcal/mol whereas Cl⁻ encounters a substantially higher barrier of nearly 5 kcal/mol. This difference makes the channel selective for cations. Ion crossing events are shown to be uncorrelated and follow Poisson statistics.
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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.