Molecular Dynamics Simulations in Biological Membranes

A special issue of Membranes (ISSN 2077-0375). This special issue belongs to the section "Biological Membranes".

Deadline for manuscript submissions: 31 October 2025 | Viewed by 2

Special Issue Editor


E-Mail Website
Guest Editor
Centre in Artificial Intelligence Driven Drug Discovery, Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China
Interests: membrane models; protein dynamics; molecular dynamics simulation; computer-aided drug design; computational biology; AI-drug discovery

Special Issue Information

Dear Colleagues,

Biological membranes are crucial components of living organisms, serving as selective barriers and facilitating various cellular processes. Understanding the intricate dynamics and interactions within these membranes is essential for advancing our knowledge of cellular function and dysfunction. Molecular dynamics (MD) simulations have emerged as a powerful tool for investigating the complex behavior of biological membranes at the molecular level.

This Special Issue aims to showcase recent advances, novel applications, and cutting-edge research in the field of molecular dynamics simulations applied to biological membranes. We welcome contributions that highlight the role of MD simulations in elucidating the structure, function, dynamics, and interactions of membrane components, ranging from lipid bilayers to membrane proteins. The Special Issue will provide a platform for researchers to share their findings, methodologies, and insights, fostering collaboration and driving innovation in this exciting field.

Prof. Dr. Jingjing Guo
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. 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

  • biological membranes
  • molecular dynamics simulations
  • lipid bilayers
  • membrane proteins
  • lipid–protein interactions
  • membrane dynamics
  • ion channels
  • membrane permeability
  • membrane fusion and fission
  • computational biophysics

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Published Papers

This special issue is now open for submission.
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