ScienceJuly 14, 2021

Permeability of Biomembranes

Investigating the Permeability of Biomembranes  How easy is it for a small…
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Victor Milman

Investigating the Permeability of Biomembranes 

How easy is it for a small molecule – pharmaceutical agent, chemical toxicant, environmental pollutant – to diffuse through a biomembrane?

The COSMOperm tool from BIOVIA helps scientists to predict passive membrane permeabilities for neutral compounds, as well as anions and cations.

This revolutionary technique is described in the paper COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH Dependence.

It was published in The Journal of Physical Chemistry B. Authors included BIOVIA’s Johannes Schwöbel, Uwe Huniar and Andreas Klamt.

The method combines quantum-mechanical description of structures and charge distributions with validated intermolecular interactions.

The workflow can be used for different applications and industries including cosmetics, industrial chemicals and pharmaceuticals.

More on COSMOperm

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