Call for Papers: At the Cutting Edge of Theoretical and Computational Biophysics

The field of theoretical and computational biophysics has seen remarkable progress over the years and has deepened our understanding of the fundamental processes underlying biological phenomena. From groundbreaking quantum-mechanical studies elucidating the mechanisms of fundamental reactions of the cell machinery to coarse-grained models that enable the exploration of million-atom-scale biological systems, this special issue of The Journal of Physical Chemistry B, entitled “At the Cutting Edge of Theoretical and Computational Biophysics,” will highlight the versatility and power of modern theoretical and computational biophysics.

Research areas of particular interest include those that:

• Bridge scales and methods
• Address the dynamic and emergent properties of the cell machinery
• Disentangle the intricate interplay of biomolecular interactions
• Develop novel computational tools to push the boundaries of what can be simulated today
• Investigate rare events and their role in complex biological processes
• Explore the impact of environmental fluctuations on biomolecular systems
• Model the effects of post-translational modifications on protein behavior
• Integrate experimental and computational approaches to validate predictions
• Elucidate the molecular behavior underlying transport, trafficking, and signal transduction
• Examine the structural and functional consequences of molecular crowding
• Advance coarse-grained models for multiscale simulations
• Enable simulations of nonequilibrium processes in biological systems
• Investigate the role of water and solvents on biomolecular dynamics
• Develop scalable methods for high-dimensional free-energy landscapes
• Address the challenges of simulating intrinsically disordered proteins
• Advance mesoscopic models for complex biomolecular processes
• Enhance accuracy and efficiency in predicting transition pathways
• Push the frontiers of biomolecular simulation using exascale computing
• Develop computational models of realistic, asymmetric membranes
• Explore energy transduction and the molecular features underlying active biomolecular behavior

Organizing Editors

Prof. Gregory A. Voth, Guest Editor
University of Chicago, United States

Prof. Christophe Chipot, Senior Editor, The Journal of Physical Chemistry A/B/C
CNRS, France

Prof. Joan-Emma Shea, Editor-in-Chief, The Journal of Physical Chemistry A/B/C
University of California, Santa Barbara, United States

Submission Information

We welcome submissions for this Special Issue through March 31, 2025.

All submissions for the issue will be handled by the JPC Senior Editors and peer-reviewed with the same standards and expectations applied to all other manuscripts submitted to the journal.

To ensure an unbiased peer-review process, indicate that you wish to be included in the Special Issue in your cover letter, not in the manuscript itself. You can find other important information for authors in The Journal of Physical Chemistry Author Guidelines.

As with all submissions to The Journal of Physical Chemistry, your manuscript should represent a rigorous scientific report of original research. Submissions are expected to provide new physical insight and/or present new theoretical or experimental methods of broad interest.

Open Access: There are diverse open access options for publications in American Chemical Society journals. Please visit our Open Science Resource Center for more information.

How to Submit

• Log in to the ACS Publishing Center.
• Select the "Journals" tab.
• Search for The Journal of Physical Chemistry.
• Click "Submit."

If you are unsure if your research is within the scope of this Special Issue or have other questions about submitting a manuscript to the journal, please email The Journal of Physical Chemistry at eic@jpc.acs.org.