Permeability of Biomembranes

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.'

Victor Milman

BIOVIA, Dassault Systèmes
Senior Director of the Quantum Mechanics and Nanotechnology R&D Team, Victor Milman, Ph.D., joined BIOVIA in 1994 and currently serves as a senior fellow and manager of quantum mechanics and nanotechnology research and development team. He graduated from Moscow Institute of Physics and Technology and received his doctorate in solid state physics from The Ukrainian Academy of Sciences. His subsequent research at the Institute of Metal Physics in Kiev focused on development of first principles techniques for study of lattice properties of inorganic crystals. This work continued at the Cavendish Laboratory, Cambridge, where he was employed as a Research Associate for the SERC Collaborative Computational Project in electronic structure of solids. This activity in the group of Professor Heine and Professor Payne culminated in the public release of CASTEP, a revolutionary code for quantum-mechanical modelling of solids and surfaces. Milman further worked for a year as a visiting research fellow at the DOE Oak Ridge National Laboratory, concentrating on applications of CASTEP to physics of semiconductors, from modelling growth processes to study of extended defects. Victor Milman has 150 peer-reviewed publications with the h-index of 29, which reflects both productivity and high scientific impact of his research. His contributions include numerous conference presentations, co-supervision of doctorate students with University of Cambridge and with University College London, organization of meetings and symposia, regular refereeing of papers for the major journals in physics and chemistry.'

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