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Sep 2026

Coupled Surface and Pore Diffusion of Neutral Organic Molecules in Nanopores

The transport of neutral organic molecules through nanoscale pores is central to a wide range of processes, yet the molecular factors governing their mobility remain difficult to predict. Here, we use all-atom molecular dynamics simulations under a nonpolarizable force field to examine the diffusion of 1,4-dioxane, p...

Jing Ren, Yang-Yang Wu, Xin Tong · 0 citations
Open access Sep 2026

Field-driven peptide transport across the inner mitochondrial membrane via a transient membrane pore.

Cell-penetrating peptides translocate across a membrane via different mechanisms. In this work, we employ coarse-grained molecular dynamics simulations to study the effect of an external electric field, which mimics the transmembrane potential, on the stability of a mitochondrial membrane and the translocation of pepti...

Son V. Nguyen, Harish Vashisth · 0 citations
Review Open access Aug 2026

Architecting Biomimetic Proton Channels in Membranes for Energy and Environment Applications

Biological proton channels enable rapid and perfectly selective proton transport through highly confined and functionalized structures. Inspired by these natural systems, this review first elucidates the fundamental transport mechanisms underlying biological proton channels (e.g., Hv1, M2), emphasizing the role of hydr...

Guo-Zhen Liu, Min Jian, Jun Gao et al. · 0 citations
Sep 2026

Breakdown of classical paradigms in lipid membranes. Part II: The permeability paradox.

Water soluble non electrolytes alter the density and the compressibility of the lipid membrane according to its ability to permeate. Glucose, a non-permeant, accumulates at the interphase binding to the PO2- groups promoting water extrusion and decreasing the specific volume and the compressibility without altering the...

L. G. Mohtar, Florencia San Román Nápoli, M. B. Sierra et al. · 0 citations
Open access Sep 2026

Peptide Sequence Features that Reduce Membrane Pore Line Tension

Together, these results link peptide sequence to pore-rim localization, lipid reorganization, and ultimately line-tension reduction, providing molecular design principles for α-helical peptides that stabilize permeable membrane states.

Denys Biriukov, R. Vácha · 0 citations
Open access Sep 2026

Counterions, Polarization and Pore Hydration Relay Drive Ion Permeation through Hydrophobic Pore Formed by the MERS Coronavirus E Protein

Hydrophobic pores are generally expected to exclude ions because the large desolvation penalty associated with ion transfer cannot be compensated within a nonpolar environment. The envelope (E) protein of Middle East Respiratory Syndrome coronavirus (MERS-CoV) presents a striking exception, conducting cations with high...

Zhong-Yi Wan, Mei Hong, Q. Cui · 0 citations

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