October News: Review Publication on Permeation Mechanisms in Large-Pore Ion Channels

1. Research Articles
- Kumar D., Harris A.*, Luo Y.*  
  Molecular Permeation Through Large Pore Channels: Computational Approaches and Insights  
  The Journal of Physiology (2024)

This paper reviews computational methods used to study molecular permeation through large-pore eukaryotic channels like connexins, pannexins, and LRRC8s. We describe MD techniques, including voltage-driven flux, potential of mean force, and mean first-passage-time calculations, to uncover mechanisms of permeation. Our analysis highlights how permeant flexibility and pore-lining residue dynamics shape permeation, offering insights for guiding experiments and hypothesis testing.

 Link: https://physoc.onlinelibrary.wiley.com/doi/10.1113/JP285198