This Joint Virtual Special Issue will highlight the latest advancements in the field of drug delivery focusing on how computational methods are being used to overcome some of the most challenging obstacles. Submit your manuscript by May 1, 2024.

A blue background with a lot of pills on it.

The field of drug delivery is constantly evolving, and computational methods have proven to be an invaluable tool in this endeavor. With this special issue, we aim to bring together researchers from different disciplines to share their knowledge and expertise in computational methods and drug delivery.

We are pleased to announce that Bioconjugate Chemistry and Molecular Pharmaceutics and will publish a joint Virtual Special Issue (VSI), “Computational Methods in Drug Delivery.”

We welcome topics including, but not limited to:

  • Artificial Intelligence (AI)
  • Process simulation
  • PBPK modeling in drug development
  • Biophysics of materials
  • Cellular modeling
  • General formulation design and delivery
  • Permeability, bilayers
  • Machine learning for material optimization
  • Physics-based simulation for formulation design
  • Formulation and delivery of macromolecules

Organizing Editors

Rafael Gomez-Bombarelli, Guest Editor, Bioconjugate Chemistry
Massachusetts Institute of Technology, United States | Email

Sapna Sarupria, Guest Editor, Bioconjugate Chemistry
University of Minnesota, United States | Email

Ouyang Defang, Guest Editor, Molecular Pharmaceutics
University of Macau, Macau | Email

Per Larsson, Guest Editor, Molecular Pharmaceutics
Uppsala University, Sweden | Email

Olivia Merkel, Guest Editor, Molecular Pharmaceutics
Ludwig Maximilian University of Munich, Germany | Email

Submission Information

We welcome submissions for this Virtual Special Issue through May 1, 2024.

To learn more about the scope and requirements for this Virtual Special Issue, read the Author Guidelines for each journal below:

The scope and audience of each journal can be found online. Briefly, Bioconjugate Chemistry seeks original contributions on all research at the interface between synthetic and biological materials, while Molecular Pharmaceutics publishes the results of original research that contributes significantly to the molecular mechanistic understanding of drug delivery and drug delivery systems. The journal encourages contributions describing research at the interface of drug discovery and drug development.

Please submit directly to the appropriate journal. These are both hybrid subscription journals, meaning there is no publication fee to the author (also called article processing charge or APC) unless the author elects to purchase open access through our various licensing options. Learn about ACS’s open science initiatives here.

Manuscripts will be processed on a rolling basis to go through peer review. Upon acceptance, each manuscript is published on a rolling basis in a regular issue in each individual journal. Once all papers have been accepted, they will be collected onto a single webpage for additional exposure to each author’s work as a VSI.

How to Submit

  • Log in to the ACS Paragon Plus submission site.
  • Choose either Bioconjugate Chemistry or Molecular Pharmaceutics.
  • Select your manuscript type and choose "Computational Methods in Drug Delivery."

If you have any general questions regarding submission to this Virtual Special Issue, please contact one of the organizing editors.

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