Molecular Dynamics Simulations in Biological Membrane Systems

Dear Colleagues,

Biological membranes define the limits of cells and intracellular organelles. They have many functions, such as mediation of molecular permeation and localization of enzymes contributing to a myriad of cell signalling processes. The knowledge of the membrane structure, organization, and dynamics is of paramount importance to characterize the different process involving biological membranes.

In the last three decades, molecular dynamics (MD) simulations have continuously contributed to the understanding of processes in biological membranes. Examples include the characterization of membranes regarding different subjects, such as their structure and organization, membrane permeability, lipid–protein interactions, lipid–drug interactions, and others. MD simulations are used to obtain both detailed atomic-scale and coarse-grained level information that can span systems of different degrees of complexity.

In this Special Issue, we invite investigators to contribute original research articles and review articles on all aspects of molecular dynamics simulations focused on biomembranes. Potential topics include but are not limited to the following:

• Atomistic, coarse-grained, and multiscale MD simulations of biological membranes;
• Interaction with and permeation of drug-like molecules through lipid membranes and protein containing lipid bilayers;
• Lipid–protein and lipid–peptide interactions;
• Enhanced sampling studies in biological membranes;
• Software, force fields, and diverse tools to deal with biological membranes. 

Dr. Hugo A. L. Filipe
Prof. Dr. Maria João Moreno
Prof. Dr. Luís M. S. Loura
Guest Editors

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.