Computational Biophysics in Cellular Biological Systems

Dear Colleagues,

Computational approaches are revolutionizing our understanding of cellular biological systems, offering profound insights into biomolecular structure, dynamics, and function. Techniques such as cryo-electron microscopy (cryo-EM) and X-ray crystallography provide detailed structural information, while molecular dynamics (MD) simulations and coarse-grained modeling shed light on the dynamic behaviors and interactions within cellular networks. These computational methods complement traditional biophysical techniques—including fluorescence microscopy and atomic force microscopy (AFM)—by enabling the real-time observation of molecular processes in live cells. Furthermore, genetic and biochemical assays integrated with computational tools reveal the regulatory mechanisms underlying cellular functions. This Special Issue explores the latest advancements in the computational biophysics of cellular systems, including how these methods uncover the intricacies of cellular function, disease pathways, and therapeutic potential. We encourage submissions that utilize innovative computational strategies and multidisciplinary approaches to expand our understanding of cellular biophysics. We look forward to your valuable contributions to this pivotal area of research.

Original papers and high-quality review articles are welcome for this Special Issue. Potential topics include, but are not limited to, the following:

• High-Resolution Computational Modeling of Membrane Protein Complexes;
• In Silico Approaches to Protein–Protein Interactions in Cellular Signaling Networks;
• Molecular Dynamics Simulations in Cellular Processes;
• Virtual Screening and Molecular Docking for Drug Discovery Targeting;
• Computational Modeling of Post-Translational Modifications in Protein Regulation;
• Multiscale Computational Modeling of Cellular Metabolic Pathways;
• Innovative Computational Methods for Single-Cell Biophysical Analysis.     

Dr. Lin Li
Dr. Wenhan Guo
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 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. Cells is an international peer-reviewed open access semimonthly 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 2700 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.

• cellular process
• protein–protein interactions
• single-cell analysis
• drug design
• molecular dynamics simulations