Call for Papers: Applications of Free-Energy Calculations to Biomolecular Processes

Building upon a recently published Collection of influential articles published in the Journal of Chemical Information and Modeling and in The Journal of Physical Chemistry B, we are pleased to announce a joint Virtual Special Issue (VSI) aimed at promoting cutting-edge research that applies free-energy calculations to the investigation of biomolecular processes. Researchers are encouraged to submit a manuscript describing their new and unpublished work by October 31, 2024.

We welcome submissions that fall within the scientific scope of the two journals, reporting original methodological developments, as well as extensions, or applications thereof, which have allowed discoveries to be made, and new physical insights to be gained. Research areas of particular interest to the proposed Journal of Chemical Information and Modeling and The Journal of Physical Chemistry B joint VSI include, but are not limited to:

• Alchemical Free-Energy Calculations for Drug Discovery
• Methodological Developments for Free-Energy Calculations
• Machine Learning and Free-Energy Calculations
• Protein-Protein Interactions
• Free Energies Determined from QM/MM and Reactive MD Simulations

Organizing Editors

Prof. Zoe Cournia, Executive Editor, Journal of Chemical Information and Modeling
Academy of Athens, Greece

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

Submission Instructions

Just like any submission to either the Journal of Chemical Information and Modeling or The Journal of Physical Chemistry B, contributions should consist of original research of sufficient broad interest, providing new physical insight, or reporting novel methodological developments. The contributions received by either journal will be peer reviewed with the same standards as any regular submission.

To ensure an unbiased peer-review process, the journals ask that you do not indicate within your manuscript that the submission is intended for the VSI. If you do, your manuscript will be returned for correction. Instead, when you submit your manuscript, please state prominently in the cover letter for the submission that the paper is intended for the “Applications of Free-Energy Calculations to Biomolecular Processes” VSI. For submissions to JCIM, you can select “Applications of Free-Energy Calculations to Biomolecular Processes” from the drop down list of Special Issues list.

You can find a complete list of sections and other important information for authors in The Journal of Physical Chemistry B or Journal of Chemical Information and Modeling Author Guidelines.

Contributing to this Virtual Special Issue

If you are unsure if your research is within the scope of this VSI or have other questions about submitting a manuscript to the journal please email The Journal of Physical Chemistry EIC office or the Journal of Chemical Information and Modeling EIC office.

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.