Simulation and Artificial Intelligence Method Development for Complex Membrane Transport
A special issue of Membranes (ISSN 2077-0375).
Deadline for manuscript submissions: 10 May 2026 | Viewed by 744
Special Issue Editor
Interests: molecular dynamics simulation; artificial intelligence; machine learning; membrane transport; drug permeation; drug delivery; computational modeling; permeability prediction; biological membranes; non-biological membranes; complex membranes; computer-aided drug design
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Special Issue Information
Dear Colleagues,
Recent advances in the field of molecular simulation and artificial intelligence have resulted in staggering advances in our understanding of drug delivery through complex membranes. Such discoveries have included the atomic-detail mechanisms of small-molecule permeation, the calculation of simulated permeabilities as a stand-alone value alongside experimental permeabilities, the prediction of transmembrane permeabilities, and the generation of novel findings about key drug delivery routes, among others.
This Special Issue is dedicated to all aspects of molecular simulations and artificial intelligence developments related to membranes. When considering your submission, please note that Membranes is a journal that covers the broad aspects of the science and technology of both biological and non-biological membranes. This Special Issue will welcome submissions of any type of computational work on membranes.
Dr. Christian Jorgensen
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 250 words) can be sent to the Editorial Office for assessment.
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. Membranes 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 2200 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
- molecular dynamics simulation
- artificial intelligence
- machine learning
- membrane transport
- drug permeation
- drug delivery
- computational modeling
- permeability prediction
- biological membranes
- non-biological membranes
- complex membranes
- computer-aided drug design
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