Mathematical Modeling for Ion Channels
A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Statistical Physics".
Deadline for manuscript submissions: 30 September 2025 | Viewed by 87
Special Issue Editor
Interests: ion channel gating; patch clamp recording; patch clamp electrophysiology; biophysics; ion channels; patch clamp techniques; fractals; channels; nonlinear analysis; mathematical modeling
Special Issue Information
Dear Colleagues,
Ion channels are pore-forming transmembrane proteins allowing for the rapid and selective transport of ions down their electrochemical gradients. Their activity can be considered a complex, noisy process that deeply affects the biology of virtually all known cells. From this perspective, over the decades a plethora of investigations have been carried out to improve our understanding of ion channels’ functioning and their biological importance. Besides the unprecedented experimental insights, modeling and simulations have been an integral part of the development of the field.
Ever-more-advanced in silico studies have allowed for the reconstruction of 3D channel structures and understanding of the mechanisms of their physical inter- and intramolecular interactions, which shape channels’ selectivity, conductance, and gating. Due to the inherent complexity and nonlinearity of ionic transport through ion channels, there is no unique theoretical framework for the gating dynamics. Over the years, various mathematical approaches have been developed, each offering unique insights into different aspects of this intricate phenomenon. Still, the more we uncover about the process, the more evident the gaps in our understanding become, including the persistent questions of structure–function relationships, the theory of ionic permeation, collectivity phenomena, the scalability of molecular transport processes, and potential memory effects, to list only a few. Among the mechanistic aspects of channel activity, which remain not fully understood, there are entropic effects associated with ordered ionic flow through confined channel pores.
Additionally, in the analysis of experimental data on ionic transport, information theory measures remain underutilized, despite their strong interpretative potential.
This Special Issue serves as an open forum for high-quality articles on the mathematical modeling and simulation of various aspects of ionic transport through ion channels and biomimetic nanopores. In line with the journal’s scope, we particularly welcome articles exploring the entropic aspects of ionic transport, including the entropy-based regulation of ionic fluxes and the entropic potential of channel conformational dynamics. Additionally, we encourage submissions that introduce new techniques or innovative applications of existing methodologies based on information entropy (e.g., Shannon entropy, sample entropy, multiscale entropy, and slope entropy) for analyzing experimental data.
This SI on Mathematical Modeling for Ion Channels promotes computational studies and their diversity, robustness, and potency to provide new insights into ion-channel-oriented research.
Dr. Agata Wawrzkiewicz-Jałowiecka
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- ion channels
- channel gating
- patch clamp
- statistical physics
- applied mathematics
- phenomenological models
- Brownian dynamics
- entropic potential, molecular dynamics
- mechanism of selectivity
- activation of gate-selectivity filter coupling
- ion channel permeation mechanism
- conformational dynamics
- allosteric coupling
- ionic currents through biological membranes
- biomimetic channels
- nanopores
- rectification
- time series analysis
- information entropy
- Shannon entropy
- sample entropy
- multiscale entropy
- slope entropy
- entropic effects of channel gating
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
